Tag: 100-200

《Heck reaction prediction using a transformer model based on a transfer learning strategy》 was written by Wang, Ling; Zhang, Chengyun; Bai, Renren; Li, Jianjun; Duan, Hongliang. Safety of Benzyl acrylate And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

A proof-of-concept methodol. for addressing small amounts of chem. data using transfer learning is presented. This has been demonstrated by applying transfer learning combined with the transformer model to small-dataset Heck reaction prediction. Introduction of transfer learning significantly improved the accuracy of the transformer-transfer learning model (94.9%) over that of the transformer-baseline model (66.3%). In addition to this study using Benzyl acrylate, there are many other studies that have used Benzyl acrylate(cas: 2495-35-4Safety of Benzyl acrylate) was used in this study.

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Safety of Benzyl acrylate

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

《Copper-catalyzed oxidative benzylic C(sp3)-H amination: direct synthesis of benzylic carbamates》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Liu, Shuai; Achou, Raphael; Boulanger, Coline; Pawar, Govind; Kumar, Nivesh; Lusseau, Jonathan; Robert, Frederic; Landais, Yannick. Related Products of 4248-19-5 The article mentions the following:

A new efficient strategy to access benzylic carbamates I (R1 = H, Ph, 1-Naph, 4-AcOC6H4, etc.; R2 = Me, i-Pr, CH2OAc, etc.; R = Me, Bn, t-Bu, etc.) through C-H activation is reported. The use of a catalytic amount of a Cu(I)/diimine ligand in combination with NFSI ((PhSO2)2NF) or Selectfluor hexafluorophosphate (F-TEDA-PF6) as oxidants and H2NCO2R (R = Me, Et, i-Pr, Bn, etc.) as an amine source directly leads to the C-N bond formation at the benzylic position. The mild reaction conditions and the broad substrate scope make this transformation a useful method for the late-stage incorporation of a ubiquitous carbamate fragment onto hydrocarbons.T. In the experiment, the researchers used many compounds, for example, tert-Butyl carbamate(cas: 4248-19-5Related Products of 4248-19-5)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.Related Products of 4248-19-5

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

《A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H – alkyne coupling》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.. HPLC of Formula: 4949-44-4 The article mentions the following:

A highly competitive and selective C-C and N-C cross-coupled 7-, 6- and 5-annulation was described utilizing 2-ethynylanilides to afford functionalized 1H-benzo[b]azepin-2(5H)-ones I [R1 = Me, Et, Ph, 4-O2NC6H4; R2 = Ph, 4-MeC6H4, 4-FC6H4, etc.; R3 = H, 7-Me, 7-Cl, 8-Cl], 2-quinolinones II [R4 = Me, Et, Ph, etc.; R5 = H, Ph, 4-O2NC6H4, etc.; R6 = H, 6-Me, 7-Cl, etc.] and 3-acylindoles III [R7 = Me, Et, Ph, 4-MeC6H4; R8 = Ph, 4-MeOC6H4, 4-BrC6H4; R9 = H, Me, Cl, Br] resp., with high yields and operational simplicity. Zinc chloride was found to be the smart catalyst for 7- and 5-annulation with 1,3-migration through C-H and N-H functionalization, resp., whereas mol. iodine performed the C-H functionalized 6-annulation with a non-conventional 1,3 H-shift. The mechanism was investigated by intermediate trapping, control and labeling experimentsEthyl 3-oxopentanoate(cas: 4949-44-4HPLC of Formula: 4949-44-4) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.HPLC of Formula: 4949-44-4

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

The author of 《Cu-Catalyzed cyanoalkylation of electron-deficient alkenes with unactivated alkyl bromides》 were Wang, Chao; Shang, Qinyu; Qi, Rupeng; Chai, Hongli; Wang, Hongying; Guo, Mengzhun; Xu, Zhaoqing. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Formula: C10H10O2 The author mentioned the following in the article:

The photoinduced Cu-catalyzed cyanoalkylation of electron-deficient alkenes by using alkyl bromides as alkylation reagents to afford ester derivatives I [R = CO2Et, Cy, 4-tetrahydropyranyl, etc.; R1 = CO2Et, CO2Bn, SO2Ph, etc.] was reported. In the reactions, 1°, 2°, and 3° unactivated alkyl bromides with terminal and internal alkenes, as well as alkene-containing peptides were well tolerated with good yields. In the experiment, the researchers used Benzyl acrylate(cas: 2495-35-4Formula: C10H10O2)

Benzyl acrylate(cas: 2495-35-4) has been used in preparation of high refractive index polyacrylates. Benzyl acrylate is used in the preparation of heptanoic acid benzyl ester. It is used to prepare polybenzylacrylate using azobisisobutyronitrile as initiator.Formula: C10H10O2

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

In 2019,Journal of the American Chemical Society included an article by Boyington, Allyson J.; Seath, Ciaran P.; Zearfoss, Avery M.; Xu, Zihao; Jui, Nathan T.. Quality Control of tert-Butyl carbamate. The article was titled 《Catalytic Strategy for Regioselective Arylethylamine Synthesis》. The information in the text is summarized as follows:

A mild, modular, and practical catalytic system for the synthesis of the highly privileged phenethylamine pharmacophore is reported. Using a unique combination of organic catalysts to promote the transfer of electrons and hydrogen atoms, this system performs direct hydroarylation of vinyl amine derivatives with a wide range of aryl halides (including aryl chlorides). This general and highly chemoselective protocol delivers a broad range of arylethylamine products with complete regiocontrol. The utility of this process is highlighted by its scalability and the modular synthesis of an array of bioactive small mols. In the experiment, the researchers used many compounds, for example, tert-Butyl carbamate(cas: 4248-19-5Quality Control of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Quality Control of tert-Butyl carbamate

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

In 2019,Journal of the Science of Food and Agriculture included an article by Habibi, Fariborz; Ramezanian, Asghar; Rahemi, Majid; Eshghi, Saeid; Guillen, Fabian; Serrano, Maria; Valero, Daniel. Quality Control of Methyl Salicylate. The article was titled 《Postharvest treatments with γ-aminobutyric acid, methyl jasmonate, or methyl salicylate enhance chilling tolerance of blood orange fruit at prolonged cold storage》. The information in the text is summarized as follows:

Blood orange is sensitive to chilling injury (CI) depending on cultivar and storage temperature Postharvest treatments with γ-aminobutyric acid (GABA), Me jasmonate (MeJA), or Me salicylate (MeSA) are known to alleviate CI.γ-Aminobutyric acid aqueous solution, applied at 20 and 40 mM, was vacuum-infiltrated at 30 kPa for 8 min at 20°C. Me jasmonate or MeSA vapor treatments were applied seperately at 50 and 100μM by putting the fruit in 20 L plastic containers for 18 h at 20°C. There have been no reports about postharvest treatments of GABA, MeJA, or MeSA on enhancing the tolerance of ‘Moro’ blood orange to chilling during long-term cold storage at 3°C for 150 days, which was the subject of this study. All treatments significantly alleviated CI symptoms of blood orange manifested by lower electrolyte leakage (EL), malondialdehyde (MDA), hydrogen peroxide (H2O2) concentration, and higher proline content in flavedo during storage. The largest effects were obtained with 100, 50μM, and 40 mM for MeSA, MeJA, and GABA, resp., which enhanced the activity of the antioxidant enzymes catalase (CAT), ascorbate peroxidase (APX) and superoxide dismutase (SOD), and phenylalanine ammonia-lyase (PAL). On the other hand, these treatments suppressed peroxidase (POD) and polyphenol oxidase (PPO) activities. The mechanisms involved in enhancing the tolerance of ‘Moro’ blood orange to chilling could involve scavenging H2O2 by increasing the activity of antioxidant enzymes, higher PAL/PPO activity ratio, and osmoregulation by increasing proline content. These changes led to the maintenance of the epidermis structure. This was confirmed by SEM (SEM) micrographs. In the part of experimental materials, we found many familiar compounds, such as Methyl Salicylate(cas: 119-36-8Quality Control of Methyl Salicylate)

Methyl Salicylate(cas: 119-36-8) has been used: as a component of clarifying solution for treating Mongolian gerbil cochlea intact for immunofluorescence analysis, as a plant elicitor to test its effect on reducing the whitefly population from tomato plants.Quality Control of Methyl Salicylate

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

Formula: C5H11NO3In 2019 ,《Traceless Templated Amide-Forming Ligations》 was published in Journal of the American Chemical Society. The article was written by Osuna Galvez, Alberto; Bode, Jeffrey W.. The article contains the following contents:

Template assistance allows organic reactions to occur under highly dilute conditions-where intermol. reactions often fail to proceed-by bringing reactants into close spatial proximity. This strategy has been elegantly applied to numerous systems, but always with the retention of at least one of the templating groups in the product. In this report, the authors describe a traceless, templated amide-forming ligation that proceeds at low micromolar concentration under aqueous conditions in the presence of biomols. The authors utilized the unique features of an acylboronate-hydroxylamine ligation, in which covalent bonds are broken in each of the reactants as the new amide bond is formed. By using streptavidin as a template and acylboronates and O-acylhydroxylamines bearing desthiobiotins that are cleaved upon amide formation, the authors demonstrate that traceless, templated ligation occurs rapidly even at submicromolar concentrations The requirement for a close spatial orientation of the functional groups-achieved upon binding to streptavidin-is critical for the observed enhancement in the rate and quantity of product formed. The experimental process involved the reaction of N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Formula: C5H11NO3)

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Formula: C5H11NO3

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

HPLC of Formula: 2495-35-4In 2019 ,《Rhodium(III)-catalyzed regioselective distal ortho C-H alkenylation of N-benzyl/furanylmethylpyrazoles directed by N-coordinating heterocycles》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Kim, Hyewon; Thombal, Raju S.; Khanal, Hari Datta; Lee, Yong Rok. The article conveys some information:

C-H activation of challenging N-benzylpyrazoles I (R = H, Me, Br, Cl; R1 = H, Me, Br, 4-fluorophenyl, etc.; R2 = H; R3 = H, Br, Cl, Me, etc.; R2R3, RR2= -CH=CH-CH=CH-) using acrylates CH2=CHC(O)OR4 (R4 = Me, Ph, Bn, etc.) was accomplished by employing rhodium(III) catalysis. This C-H activation reaction proceeds via a six-membered rhodacycle intermediate and enables distal regioselective alkenyl-functionalization on the aromatic ring of N-benzylpyrazoles II without the formation of bis-adducts. High functional group tolerance, low catalyst loading, and superior reactivity of olefin moieties towards N-benzylpyrazoles I are some of the attractive features of this protocol. This protocol offers a broad scope for the regioselective functionalization of indazoles III and IV, benzo[d][1,2,3]triazoles V, and 1-(furan-3-ylmethyl)-1H-pyrazole in good yields.Benzyl acrylate(cas: 2495-35-4HPLC of Formula: 2495-35-4) was used in this study.

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.HPLC of Formula: 2495-35-4

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

Safety of tert-Butyl carbamateIn 2020 ,《Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu. The article conveys some information:

Direct enantioselective Mannich reactions of α-azido cyclic ketones with aldimines was realized through chiral phosphoric acid catalysis, which generate chiral azides possessing an α-quanternary stereocenter with complete regioselectivities and high diastereoselectivities and enantioselectivities. After reading the article, we found that the author used tert-Butyl carbamate(cas: 4248-19-5Safety of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Safety of tert-Butyl carbamate

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

In 2022,Pearce-Higgins, Robert; Hogenhout, Larissa N.; Docherty, Philip J.; Whalley, David M.; Chuentragool, Padon; Lee, Najung; Lam, Nelson Y. S.; McGuire, Thomas M.; Valette, Damien; Phipps, Robert J. published an article in Journal of the American Chemical Society. The title of the article was 《An Enantioselective Suzuki-Miyaura Coupling To Form Axially Chiral Biphenols》.Application In Synthesis of tert-Butyl carbamate The author mentioned the following in the article:

The use of enantiopure, sulfonated SPhos (sSPhos), an existing ligand that has until now been used only in racemic form and that derived its chirality from an atropisomeric axis that was introduced through sulfonation. The attractive noncovalent interactions involving the ligand sulfonate group was responsible for the high levels of asym. induction that we obtain in the 2,2′-biphenol products of Suzuki-Miyaura coupling, and a highly practical resolution of sSPhos via diastereomeric salt recrystallization was developed. In the experiment, the researchers used tert-Butyl carbamate(cas: 4248-19-5Application In Synthesis of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Application In Synthesis of tert-Butyl carbamate

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