Tag: 100-200

Detours en route to a total synthesis of (+)-cassiol was written by Colombo, Maria I.;Zinczuk, Juan;Bohn, Maria L.;Ruveda, Edmundo A.. And the article was included in Tetrahedron: Asymmetry in 2003.Category: esters-buliding-blocks This article mentions the following:

A synthesis of the antiulcerogenic compound (+)-cassiol was achieved in 43% yield starting with lactol (S)-I and sulfone II. This short and efficient synthesis features the one-pot Julia olefination reaction of the sodium anion of (S)-I with II, through the key intermediate (-)-III. This synthesis has been developed as a result of exploratory experiments including different olefination reactions on I. An attempt to synthesize the intermediate III by an intramol. aldol condensation approach of the open chain precursor is also described. In the experiment, the researchers used many compounds, for example, Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (cas: 82962-54-7Category: esters-buliding-blocks).

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (cas: 82962-54-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Influence of harvest season on volatile aroma constituents of two banana cultivars by electronic nose and HS-SPME coupled with GC-MS was written by Dou, Tong-Xin;Shi, Jing-Fang;Li, Yuan;Bi, Fang-Cheng;Gao, Hui-Jun;Hu, Chun-Hua;Li, Chun-Yu;Yang, Qiao-Song;Deng, Gui-Ming;Sheng, Ou;He, Wei-Di;Yi, Gan-Jun;Dong, Tao. And the article was included in Scientia Horticulturae (Amsterdam, Netherlands) in 2020.Synthetic Route of C10H20O2 This article mentions the following:

The odors of banana during harvest change significantly depending upon the season; however, the nature of the changes occurring at different times of harvest is still unclear. To clarify how banana harvesting time affects the volatile compound profiles and comprehensive flavor characterization, the volatile compounds of the BaXi and GuangFen Number 1 banana cultivars during the fruit harvests in March and Sept. were evaluated using electronic nose technol., and also headspace solid phase micro-extraction combined with gas chromatog.-mass spectrometry resp. Results from the principal component anal. and radar fingerprint chart of electronic nose showed that the flavor and volatile components in BaXi and GuangFen Number 1 banana fruit during the harvest in March differed significantly from those harvested in Sept. The relative content of esters in BaXi (95.29%) and GuangFen Number 1 (90.96%) banana fruit harvest in March was significantly higher than for BaXi (59.11%) and GuangFen Number 1 (61.62%) bananas harvested in Sept. We found that only banana fruits harvested in March contained iso-Bu isobutyrate, iso-Bu butyrate, and iso-Bu hexanoate, while hexyl acetate was found only in fruits harvested in Sept. Results indicate that fruits harvested in March have more volatile aroma compounds in both the cultivars. Findings from the current study are useful for the banana industry as it provides baseline data in the difference in physiochem. properties of bananas harvested in different seasons. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Synthetic Route of C10H20O2).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Synthetic Route of C10H20O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Evaluation of PTR-ToF-MS as a tool to track the behavior of hop-derived compounds during the fermentation of beer was written by Richter, T. M.;Silcock, P.;Algarra, A.;Eyres, G. T.;Capozzi, V.;Bremer, P. J.;Biasioli, F.. And the article was included in Food Research International in 2018.Related Products of 659-70-1 This article mentions the following:

Hop-derived volatile organic compounds (VOCs) play an important role in the flavor and aroma of beer, despite making up a small percentage of the overall profile. To understand the changes happening during fermentation, proton transfer reaction-time of flight-mass spectrometry (PTR-ToF-MS) was applied for the first time in brewing science to directly measure the changes in hop-derived VOCs during the fermentation of four different worts containing one of two aroma hops in combination with one of two yeast biotypes. PTR-ToF-MS successfully detected and tracked mass-to-charge ratios (m/z) arising from interactions between the different yeast strains and the hop cultivars. Differences were observed in the dynamic VOC profiles between different beer treatments for m/z such as m/z 145.121 (Et hexanoate) and m/z 173.153 (isoamyl isovalerate or Et octanoate). The ability to monitor changes in VOCs during fermentation provides valuable information on the priority of production and transformation reactions by yeast. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Related Products of 659-70-1).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Related Products of 659-70-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Copper on charcoal: Cu⁰ nanoparticle catalysed aerobic oxidation of α-diazo esters was written by Zhao, Rong;Teng, Jiangge;Wang, Zhiwei;Dong, Wenwen;Lin, Jia;Chu, Changhu. And the article was included in Organic & Biomolecular Chemistry in 2021.Application of 587-88-2 This article mentions the following:

By using a charcoal supported nano Cu0 catalyst (Cu/C), a highly efficient oxidation of α-diazo esters to α-ketoesters RCOCOOR¹ [R = Ph, 2-MeC₆H₄, 3-ClC₆H₄, etc.; R¹ = Me, i-Pr, Bn, etc.] with mol. oxygen as the sole oxidant was developed. Furthermore, this Cu/C catalyst could catalyzed the reaction of aryl α-diazo ester with water to form aryl ketoester, 2-aryl-2-hydroxyl acetate ester and 2-aryl acetate ester. In this case, water was split by α-diazo ester, and the diazo group was displaced by the oxygen or hydrogen atom in water. Mechanistic investigation showed that the reaction of α-diazo ester with oxygen proceeds through a radical pathway. In the presence of 2,2,6,6-tetra-Me piperidine nitrogen oxide, the reaction of α-diazo ester with oxygen was dramatically inhibited. Furthermore, the reaction of α-diazo ester with water was investigated by an isotopic tracer method, and GCMS detection showed that a disproportionation reaction occurred between α-diazo ester and water. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Application of 587-88-2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Application of 587-88-2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hydrazone-linked luminescent covalent organic frameworks based on AIE-active unit for acid vapour sensing was written by Gong, Wei;Dong, Yujie;Liu, Chunyu;Shi, Hongliang;Yin, Maoxing;Li, Weijun;Song, Qingbao;Zhang, Cheng. And the article was included in Dyes and Pigments in 2022.Quality Control of Ethyl 2-hydroxybenzoate This article mentions the following:

Many two-dimensional (2D) covalent organic frameworks (COFs) exhibit weak fluorescence in the solid state or relatively strong fluorescence only in their suspensions. So it is significant to develop a COF with high luminescence in its as-synthesized solid-state for the better practical applications such as fluorescence sensor. We constructed a 2D COF of TPE-DHZ-COF with the hydrazone bond as the linkage and the monomers of triphenylbenzene (TPE) units with aggregation-induced emission (AIE) characteristics, and also synthesized an analog of TPB-DHZ-COF without AIE-active unit as a comparison. Compared with TPB-DHZ-COF, the COF with TPE unit show excellent solid-state luminescence properties, demonstrating that introducing of AIE-active unit in COF can significantly improve the solid-state luminescence performance of hydrazone-linked COFs. In addition, all of these COFs could weaken or quench their fluorescence when exposure to strong-acid vapor. We regarded the response of TPE-DHZ-COF to trifluoroacetic acid (TFA) vapor as the research object, and found that TPE-DHZ-COF exhibited a fast response speed, strong adsorption capacity, excellent stability and recycling performance in the detection of TFA vapor. These results indicated that COFs would be a good candidate in solid-state fluorescence sensing. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Quality Control of Ethyl 2-hydroxybenzoate).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Quality Control of Ethyl 2-hydroxybenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Reaction of alkylation of organomercury compounds. II. The effect of structural factors in the reaction of triarylbromomethane with ethyl esters of α-bromomercuriarylacetic acids in nitromethane and dichloroethane was written by Beletskaya, I. P.;Maksimenko, O. A.;Vol’eva, V. B.;Reutov, O. A.. And the article was included in Zhurnal Obshchei Khimii in 1966.Recommanded Product: Ethyl 2-(4-fluorophenyl)acetate This article mentions the following:

Kinetic curves were shown for the title reaction of Ph3CBr or (p-C6H4)3CBr with p-YC6H4CH(HgBr)CO2Et where Y = Et, iso-Pr, Me3C, F, Cl, Br, I, NO2, or H. The reaction was of 2nd-order kinetically in MeNO2 in the presence of a large excess of HgBr2; electron donor substituents Y accelerated it, while electron acceptor groups retarded it. At 35° in MeNO2 the following reaction rate constants with Ph3CBr were determined (l./mole/sec.) for indicated Y groups: iso-Pr, 28.3; Et, 27; Me3C, 7.4; H, 5.1; F 4.9; Cl, 4.4; Br, 3.3; I, 2.8; NO2 2.1. In (CH2Cl)2 at 50° the constants were: iso-Pr, 25.7; Et, 21.8; Me3C, 10.3; H, 7.7; F, 5.1; Cl, 2.9; Br, 2.2; I, 1.9; NO2, 1.4. The Hammett equation is applicable to these data only approx. since the values for Y = NO2 do not fall on the plot. The reaction is retarded by added HgBr2 which forms a complex with Ar3CBr prior to reaction with the Hg derivatives In the absence of HgBr2, the effect of the Y groups was inverted and the rate of reaction, in either solvent, declined in the order of Y: NO2 > halogens > H > alkyls. The results were only qual. owing to generation of HgBr2 in the reaction which forms a complex with Ar3CBr, in a very rapid event. Kinetic curves, from optical ds. of reaction mixtures, were also taken for the reaction of (p-MeC6H4)3CBr with the above esters; this bromide was less reactive and showed that the reaction mechanism approaches that of SE1 type and that the reaction is determined by the pos. charge on the Hg atom, while in the resulting complex the rupture of polarized C-Hg bond runs ahead of the electrophilic attack at the C atom. Addition of small amounts of HgBr2 (up to 10 moles per mole) to reaction mixtures of Ar3CBr and the mercurated esters was found to lead to a mechanistic change. At less than 1 mole HgBr2 per mole of Ar3CBr, the effect of Y groups remained the same as found in the absence of added HgBr2; with greater proportion of HgBr2 (2 moles), the differences of effects of Y decreased were almost eliminated at 4:1 molar ratio of HgBr2. At 10:1 molar ratio, the effect of Y was inverted and the 2nd-order kinetics are obeyed from the instant at which the ratio of Ar3CBr to HgBr2 reaches about 1:15. The results are ascribed to changes in the structures of the transition states with different Y groups. With formation of the preliminary complex, the transition state I is attained, while the formation of a complex with HgBr2 leads to transition state II. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Recommanded Product: Ethyl 2-(4-fluorophenyl)acetate).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: Ethyl 2-(4-fluorophenyl)acetate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Composition of Pinot Noir Wine from Grapevine Red Blotch Disease-Infected Vines Managed with Exogenous Abscisic Acid Applications was written by Huang, Ling;Alcazar Magana, Armando;Skinkis, Patricia A.;Osborne, James;Qian, Yanping L.;Qian, Michael C.. And the article was included in Molecules in 2022.Recommanded Product: 5-Hexyldihydrofuran-2(3H)-one This article mentions the following:

Grapevine red blotch disease (GRBD) has neg. effects on grape development and impacts berry ripening. Abscisic acid (ABA) is a plant growth regulator involved in the initiation of berry ripening. Exogenous abscisic acid application was compared to an unsprayed control on GRBD-pos. Pinot noir vines during two vintages, and the total monomeric anthocyanin, total phenolics, phenolic composition, and volatile profile were measured in wines. In addition, untargeted metabolites were profiled using high-resolution LC-MS/MS. Results showed that the wine composition varied by vintage year and was not consistent with ABA application. Wines from the ABA treatment had a lower total anthocyanin and total phenolic content in one year. The untargeted high-resolution LC-MS/MS anal. showed a higher abundance of phenolic compounds in ABA wines in 2019, but lower in 2018. The wine volatile compounds of ABA treatments varied by vintage. There were higher levels of free β-damascenone, β-ionone, nerol, and several fermentation-derived esters, acids, and alcs. in ABA wines, but these were not observed in 2019. Lower 3-isobutyl-2-methoxypyrazine (IBMP) was also observed in wines with ABA treatment in 2019. The results demonstrated that ABA application to the fruit zones did not consistently mitigate the adverse impacts of GRBD on Pinot noir wines. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Recommanded Product: 5-Hexyldihydrofuran-2(3H)-one).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Recommanded Product: 5-Hexyldihydrofuran-2(3H)-one

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthesis and characterization of 2-oxo-3-aryl-succinates was written by Wang, Yajun. And the article was included in Huaxue Yanjiu Yu Yingyong in 2009.HPLC of Formula: 584-74-7 This article mentions the following:

Nine new 2-oxo-3-aryl-succinates I (R¹ = EtO, R² = 2-F, 4-F, 2-Cl, 4-Cl, 4-Br, 2-CF₃; R¹ = MeO, R² = 4-Br; R¹ = BnO, R² = H, 2-Cl) were synthesized by condensation reaction between RCH₂COOC₂H₅ and di-Et oxalate under mild reaction conditions in a high yield, and their structures were confirmed by IR and ¹H NMR. In the experiment, the researchers used many compounds, for example, Ethyl 2-fluorophenylacetate (cas: 584-74-7HPLC of Formula: 584-74-7).

Ethyl 2-fluorophenylacetate (cas: 584-74-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.HPLC of Formula: 584-74-7

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Metal-free synthesis of methylene-bridged bis-1,3-dicarbonyl compounds via oxidative C-C bond cleavage of tertiary aliphatic amines was written by Xing, Li-Juan;Wang, Xi-Mei;Li, Hong-Ying;Zhou, Wen;Kang, Ning;Wang, Peng;Wang, Bin. And the article was included in RSC Advances in 2014.Application In Synthesis of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate This article mentions the following:

Regioselective synthesis of methylene-bridged bis-1,3-dicarbonyl compounds by metal-free Bu₄NI-catalyzed oxidative coupling between tertiary aliphatic amines and 1,3-dicarbonyl compounds This reaction involved an unexpected C-C bond cleavage of tertiary aliphatic amines. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Application In Synthesis of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Application In Synthesis of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The synthesis of mandelic acid analogs. II. Styrylglycolic acids was written by Nerdel, Friedrich;Rachel, Hans. And the article was included in Chemische Berichte in 1956.Computed Properties of C11H14O3 This article mentions the following:

Adding dropwise 54 cc. concentrated HCl to 80 cc. PhCH:CHCHO and 49 g. NaCN in 250 cc. Et₂O cooled with ice, stirring the mixture 1 hr. at 0° and 1 hr. at 20°, washing the filtered Et₂O solution with concentrated NaHSO₃ and recrystallizing the residue from CS₂ give 65-70% DL-PhCH:CHCH(OH)CN (I), m. 74-5°. Adding dropwise at below 10° a mixture of 250 cc. concentrated HCl and 40 cc. concentrated H₂SO₄ to 90 g. I in 200 cc. Et₂O, warming the mixture 0.5 hr. at 15°, and diluting it after several hrs. with 3-4 fold ice-H₂O give up to 85% DL-styrylglycolic acid (II) amide, m. 141°, which (10 g.), refluxed 1 hr. with 15 g. (CO₂H)₂ in 200 cc. H₂O, gives 80% II, m. 137°. Concentrating slowly in vacuo a mixture of 30 g. (+)-bornylamine (III) in 200 cc. Et₂O and 30 g. II in 200 cc. MeOH until 2/3 of the solvents are evaporated, filtering off the precipitate; [α]_D 18°, and recrystallizing it 7-8 times from Me₂CHOH give 20 g. III D-styrylglycolate, [α]_D 28° (MeOH). Recrystallizing the residue of the original mother liquor several times from H₂O gives 10 g. III L-styrylglycolate, [α]_D -6°. Decomposition of the salts gives D-II, m. 139° (decomposition), [α]_D 100° (MeOH), and L-II (-)-isomer, m. 139°, [α]_D -98°. Hydrogenation of D-II in MeOH 5 min. with PtO₂ gives 100% (+)-α-hydroxy-γ-phenylbutyric acid (IV), m. 114-15°, [α]_D²⁰ 10.4° (EtOH). Refluxing 4.5 g. IV in 135 cc. absolute MeOH 16 hrs. with 5 cc. concentrated H₂SO₄ gives 4 g. Me ester (V), b₁₆ 155-7°, [α]_D²⁰ 23° (C₆H₆). Shaking 3 g. V 6 hrs. with 50 cc. supersaturated NH₃-NH₄OH gives the amide (VI), needles, m. 124°, [α]_D²⁰ -37° (MeOH); DL-amide, m. 130°. Bromination of D-II in CHCl₃ gives (-)-α-hydroxy-β,γ-dibromo-γ-phenylbutyric acid (VII), m. 177° (decomposition), [α]_D²⁰ -60° (MeOH). Condensation of 36 g. m-O₂NC₆H₄CH:CHCHO in 300 cc. CHCl₃ with 42 g. NaCN and 22 cc. 35.4% HCl as above gives 70-80% (3-nitrostyryl)glycolic acid (VIII) nitrile (IX), m. 76-8°, which, treated with BzCl and C₅H₅N, gives the O-Bz derivative, m. 111°. Treating 32 g. IX in 200 cc. Et₂O with 79 cc. concentrated HCl and 12.6 cc. concentrated H₂SO₄ 3 days at 20°, pouring the mixture into ice-H₂O, extracting with Et₂O, and recrystallizing the residue of the Et₂O extract give 20-22 g. VIII, slightly yellow needles, m. 130-5° (decomposition), which, treated with Br in CHCl₃, gives α-hydroxy-β,γ-dibromo-γ-(3-nitrophenyl)butyric acid, m. 175-6° (decomposition). Resolution of VIII with III gives a III (+)-VIII salt, [α]_D²⁰ 24° (MeOH), from which the free (+)-VIII, m. 112-17°, [α]_D²⁰ 71°, is obtained on decomposition with HCl. Hydrogenation of (+)-VIII in MeOH with PtO₂ gives (+)-α-hydroxy-γ-(3-aminophenyl)butyric acid (not quite pure), [α]_D²⁰ 0.75° (MeOH), which, diazotized and treated with Cu₂H₂, gives (+)-α-hydroxy-γ-phenylbutyric acid, m. 113°, [α]_D²⁰ 10.6°. Hydrogenation of 20 g. β-phenylglycidic acid Et ester in 50 cc. EtOH with 2 g. Raney Ni 8 hrs. at 20° and atm. pressure gives PhCH₂CH(OH)CO₂Et, b₁₆ 153°, which, saponified with NaOEt, gives the free acid, m. 96° (Ac derivative, m. 72°; amide, m. 112°). The equilibrium constants of the m- and p-substituted PhCOMe are determined to be, resp.: NO₂, 0.43, 0.28; Br, 0.77, 1.2; MeO, 1.27, 7.4; NHAc, 1.31, 6; Me, 1.53, 3; OH, 1.47, 14; H, 1.52, 1.52; NH₂, 1.73, 18; PhCH:CHCHO, 0.032; 3-NO₂ analog, 0.023; 3-O₂NC₆H₄COMe, 0.43. The rotation dispersions of D-II, VI, VII, and VIII in MeOH, EtOH, dioxane, Me₂CO, AcOH, and NaOH are given in tables. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0Computed Properties of C11H14O3).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Computed Properties of C11H14O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics