Esters-buliding-blocks

3618-04-0, name is trans-Ethyl 4-hydroxycyclohexanecarboxylate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. HPLC of Formula: C9H16O3

Step A: ethyl 4-iodocyclohexanecarboxylateTo a solution of ethyl 4-hydroxycyclohexane carboxylate (10.0 g, 58.1 mmol) inCH2C12 (200 mL) at 0 C was added imidazole (1 1.86 g, 174.0 mmol), triphenylphosphine (25.9 g, 99.0 mmol), and followed by iodine (25.05 g, 99.0 mmol) several portions over a period of 45 min. The resulting suspension was gradually allowed to warm up to rt. After stirring at rt over night, the mixture was partitioned between Et20 (200 mL) and water (200 mL). The organic layer was washed with saturated Na2S203 ( 100 mL) and brine (3×1 OOmL), dried over MgS04, and concentrated. The residue was purified by flash chromatography (Biotage 40+M) using 10- 20% EtOAc hexane gradient, affording the title compound: .H NMR (500 MHz, CDC13) delta 5.70 (m, IH), 4.20-4.10 (m, 2H), 2.58 (m, IH), 2.48-1.60 (m, 8H), 1.28 (mf 3H).

The synthetic route of 3618-04-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; MERCK SHARP & DOHME CORP.; ALI, Amjad; NARGUND, Ravi; LO, Michael Man-Chu; YAN, Lin; HUO, Pei; FRANKLIN, Christopher; WO2011/53519; (2011); A1;,
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5445-17-0, name is Methyl 2-bromopropanoate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Quality Control of Methyl 2-bromopropanoate

EXAMPLE 11A 2-[4-(5-Trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionic acid methyl ester A solution of 1-(5-trifluoromethyl-pyridin-2-yl)-piperazine (0.9 g, 3.9 mmoles) in MeOH (13 mL) and DIPEA (1.5 mL) was treated with 2-bromo-propionic acid methyl ester (0.48 mL, 4.3 mmoles) and stirred overnight at 70 C. MeOH was removed under reduced pressure and the residue was purified (silica gel, 10-40% acetone in hexane) to provide the title compound as a yellowish solid (1.23 g, 99%).

The synthetic route of 5445-17-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Hoff, Ethan D.; Link, James T.; Pliushchev, Marina A.; Rohde, Jeffrey J.; Winn, Martin; US2005/261302; (2005); A1;,
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Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 140-39-6, name is p-Tolyl Acetate, This compound has unique chemical properties. The synthetic route is as follows., Safety of p-Tolyl Acetate

A mixture of 40.0 g (0.27 mol) of p-tolyl acetate and 45.0 (0.34 mol) of AlCl3 was slowly (for ca. 0.5 hr) heated to 120-125 C. This mixture was stirred at this temperature for 1 hr, and then 500 mL of 2M HCl was added at 0 C. The product was extracted with 3*100 mL of diethyl ether, the combined extract was dried over Na2SO4 and then evaporated to dryness. This procedure gave 39.7 g (99%) of the title product which was further used without an additional purification.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 140-39-6.

Reference:
Patent; Giesbrecht, Garth R.; Boller, Timothy M.; Voskoboynikov, Alexander Z.; Asachenko, Andrey F.; Nikulin, Mikhail V.; Tsarev, Alexey A.; US2011/98425; (2011); A1;,
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In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 34837-84-8 as follows. Recommanded Product: Methyl 2-(4-fluorophenyl)acetate

Step El. To a solution of diisopropylamine (4.24 mL, 29.7 mmol) in THF (100 mL) at -5 ¡ãC under nitrogen was added a solution of 2.5 M n-butyllithium in hexanes (11.9 mL, 29.7 mmol) dropwise via syringe. After stirring for 15 min, methyl 2-(4-fluorophenyl)acetate (commercially available, 5.0 g, 29.7 mmol) was added. The mixture was stirred at -5 ¡ãC for 30 min and then treated with iodomethane (1.86 mL, 29.7 mmol). The reaction mixture was allowed to gradually warm to rt. After 4 h at rt, the reaction mixture was poured into a solution of aqueous ammonium chloride. The resulting mixture was extracted with diethyl ether. The combined organic extracts were washed with brine, dried (magnesium sulfate), filtered, and concentrated in vacuo. The crude product was purified using silica gel column chromatograpy (20: 1 hexane/ethyl acetate) to afford methyl 2-(4- fluorophenyl)propanoate (2.32 g, 43 percent yield) as a clear liquid. 1H NMR (500 MHz, chloroform-d) delta 7.33 – 7.25 (m, 2H), 7.09 – 6.98 (m, 2H), 3.73 (q, J=7.2 Hz, IH), 3.69 (s, 3H), 1.51 (d, J=7.2 Hz, 3H).

According to the analysis of related databases, 34837-84-8, the application of this compound in the production field has become more and more popular.

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; MARCIN, Lawrence R.; HIGGINS, Mendi A.; BRONSON, Joanne J.; ZUSI, F. Christopher; MACOR, John E.; DING, Min; WO2015/42243; (2015); A1;,
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Reference of 816-27-3, In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 816-27-3 as follows.

To a suspension of 3-methoxy-benzene-1,2-diamine sulfate, Example 25(b), (2.36 g, 10 mmol) in EtOH (15 mL) and H2O (1 mL) was added NaHCO3 (1.68 g, 20 mmol, J T Baker). When gas evolution was complete, ethoxy-imino-acetic acid ethyl ester (1.6 g, 11 mmol, prepared according to J. Chem. Soc. Perkin. Trans. 1, 1999, 1789) was added and the mixture was stirred at room temperature for 16 h. The reaction was diluted with sat. aq. NaHCO3 and extracted with 25% i-PrOH(CHCl3 (5¡Á). The combined organic layers were dried over Na2SO4, filtered, and concentrated in vacuo. Purification by silica gel column chromatography (gradient: 0-5% MeOH/CH2Cl2) afforded 3-amino-8-methoxy-1H-quinoxalin-2-one as a light-brown powder [MS (ESI, pos. ion) m/z: 192 (M+1)] and 3-amino-5-methoxy-1H-quinoxalin-2-one as a light-brown powder [MS (ESI, pos. ion) m/z: 192 (M+1)].

According to the analysis of related databases, 816-27-3, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Wang, Hui-Ling; Balan, Chenera; Doherty, Elizabeth M.; Falsey, James R.; Gore, Vijay Keshav; Katon, Jodie; Norman, Mark H.; US2005/176726; (2005); A1;,
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In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 40872-87-5, name is Methyl 3-amino-4-chlorobenzoate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Computed Properties of C8H8ClNO2

To an ice-cold aqueous solution of concentrated hydrochloric acid (30 mL) was added compound 2 (7.4 g, 40 mmol), followed by the dropwise addition of sodium nitrite (3.036 g, 44.0 mmol) in distilled water (5 mL). After 0.5 h of stirring at 0 C, tin(II) chloride (18.05 g, 80 mmol) in concentrated hydrochloric acid (30 mL) was added dropwise to the above solution. The reaction was stirred for 4 h at 0 C and filtered and successively washed with concentrated hydrochloric acid (15 mL). The precipitate was dissolved in distilled water and filtered. When the filtrate was adjusted to pH 13 by adding 4 mol/L sodium hydroxide under stirring, a large amount of solid formed and was filtered and dried to obtain compound 3. White solid, yield: 63.9%, m.p.132-133 C. 1H NMR (400 MHz, CDCl3) delta 7.76 (s, 1H, Ph-H), 7.40 (d, J = 8.2 Hz, 1H, Ph-H), 7.35 – 7.23 (m, 1H, Ph-H), 5.81 (s, 1H, NH), 3.91 (s, 3H, OCH3), 3.67 (s, 2H, NH2).

The synthetic route of 40872-87-5 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Li, Feng-Yun; Wang, Yuan-Hong; Liu, Jing-Bo; Li, Yu-Xin; Li, Zheng-Ming; Bioorganic and Medicinal Chemistry; vol. 27; 5; (2019); p. 769 – 776;,
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Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 10601-80-6, name is Ethyl 3,3-diethoxypropionate, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of Ethyl 3,3-diethoxypropionate

General procedure: A mixture of montmorillonite K-10 (75 mg), an appropriate aniline 1 (150 mg, 1.2 mmol), ethyl-3,3-diethoxypropionate (3) (579 mg, 3 mmol) and an aldehyde (166 mg, 1.34 mmol) in pure water (7.5 mL) was stirred at 90 C for the time mentioned in Table 2. After completion of the reaction (indicated by TLC), the mixture was cooled to room temperature and filtered. The filtrate was extracted with EtOAc (3 ¡Á 5 mL). The organic layers were collected, combined, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel using ethyl acetate-hexane to give the desired product.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 10601-80-6.

Reference:
Article; Reddy, T. Ram; Reddy, G. Rajeshwar; Reddy, L. Srinivasula; Meda, Chandana Lakshmi T.; Parsa, Kishore V.L.; Kumar, K. Shiva; Lingappa; Pal, Manojit; European Journal of Medicinal Chemistry; vol. 62; (2013); p. 395 – 404;,
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Related Products of 653-92-9,Some common heterocyclic compound, 653-92-9, name is Methyl 2-bromo-4-fluorobenzoate, molecular formula is C8H6BrFO2, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

General procedure: Method A: A sealed tube was charged with compound 4a,b (0.93 mmol), 5a-e (0.93 mmol), 5 mol % of Pd(OAc)2, 10 mol % of Xantphos, 2 equiv of Cs2CO3 (1.86 mmol) and 10 mL of 1,4-dioxane. The mixture was degassed and backfilled with argon, the reaction vessel was sealed with a Teflon tap and heated at 100 C for 12 h. The reaction mixture was cooled to rt and concentrated in vacuo. The residue was dissolved in chloroform, washed with 10% citric acid solution, brine solution, dried over anhydrous Na2SO4 and concentrated. The crude compound was purified by flash column chromatography using 3-5% of MeOH/CHCl3 as an eluent to give the title cyclized compound.Method B: To a thick-well borosilicate glass vial (5 mL) was added compound 4a,b (0.23 mmol), compound 5a-e (0.23 mmol), 5 mol % of Pd(OAc)2, 10 mol % of Xantphos, 2 equiv Cs2CO3 (0.46 mmol) and 1,4-dioxane (2 mL). The mixture was degassed and the reaction vial was sealed and placed in the CEM-DISCOVER microwave reactor and irradiated at 100 C for 15 min. After cooled to rt, the product was isolated as above described in method A.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Methyl 2-bromo-4-fluorobenzoate, its application will become more common.

Reference:
Article; Sorra, Kumaraswamy; Mukkanti; Pusuluri, Srinivas; Tetrahedron; vol. 68; 7; (2012); p. 2001 – 2006;,
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Synthetic Route of 33689-29-1, In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 33689-29-1 as follows.

Example B6 A 0 C. solution of methyl 1-hydroxycyclopropane-1-carboxylate (1 g, 8.61 mmol) in DMF (10 mL) was treated with NaH (60% in mineral oil, 0.689 g, 17.22 mmol), stirred at 0 C. for 0.5 h, treated with iodomethane (0.646 mL, 10.33 mmol), allowed to slowly warm to RT and stirred for 2 h. The mixture was quenched with satd. NH4Cl, diluted with water and extracted with Et2O (3*). The combined organics were washed with water, then brine, dried and concentrated to afford methyl 1-methoxycyclopropane-1-carboxylate (1.10 g, 98%). 1H NMR (400 MHz, DMSO-d6): delta 3.62 (s, 3H), 3.27 (s, 3H), 1.12-1.11 (m, 4H).

According to the analysis of related databases, 33689-29-1, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Deciphera Pharmaceuticals, LLC; Flynn, Daniel L.; Caldwell, Timothy Malcolm; Samarakoon, Thiwanka; Vogeti, Lakshminarayana; Kaufman, Michael D.; Patt, William C.; Ahn, YuMi; US2014/275016; (2014); A1;,
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Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 22223-49-0, name is Methyl 2-amino-3-methylbenzoate, This compound has unique chemical properties. The synthetic route is as follows., Formula: C9H11NO2

To a solution of methyl 2-amino-3-methylbenzoate (4) (1.00 g, 6.10 mmol) in DMF (10 ml) was added NBS (1.10 g, 6.10 mmol), and the reaction mixture was stirred at rt for 6 h. The reaction mixture was diluted with EtOAc (10 ml) and washed with saturated aqueous Na2CO3 solution (10 ml * 3). The organic layer was dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel (hexanes/EtOAc = 100:1) to give compound 5 as pale gray solid (0.93 g, 62% yield): 1H NMR (400 MHz, CDCl3) delta (ppm) 7.88 (d, J = 2.3 Hz, 1H), 7.28 (d, J = 2.3 Hz, 1H), 5.82 (s, 2H), 3.86 (s, 3H), 2.15 (s, 3H).

According to the analysis of related databases, 22223-49-0, the application of this compound in the production field has become more and more popular.

Reference:
Article; Kim, Mi Kyoung; Shin, Heerim; Cho, Seo Young; Chong, Youhoon; Bioorganic and Medicinal Chemistry; vol. 22; 3; (2014); p. 1156 – 1162;,
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