3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Base Information

• Chemical Name: 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
• CAS No.: 21575-91-7
• Molecular Formula: C11H11BrO3
• Molecular Weight: 271.111
• Hs Code.: 2918300090
• Mol file: 21575-91-7.mol

Synonyms:3-(3-Bromophenyl)-3-keto-propionic acid ethyl ester;

Chemical Property of 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000186mmHg at 25°C
• Refractive Index: n20/D 1.565(lit.)
• Boiling Point: 328.7 °C at 760 mmHg
• PKA: 9.91±0.46(Predicted)
• Flash Point: 152.6 °C
• PSA: 43.37000
• Density: 1.425 g/cm³
• LogP: 2.58500
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl3-(3-Bromophenyl)-3-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Reactant involved in synthesis of: Aroylbenzoxepinones for analgesic activity(Heteroaryl)(carboxamido)arylpyrrole derivatives with Cdc7 kinase inhibitory activityCambinol analogs for sirtuin inhibition and antitumor activityTunePhos-type diphosphine ligands via asymmetric hydrogenation

Technology Process of 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

There total 15 articles about 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

3-bromobenzoyl chloride (1711-09-7) + ethyl potassium malonate (6148-64-7) → ethyl 3-bromobenzoylacetate (21575-91-7)

Guidance literature:

With magnesium chloride; triethylamine; In acetonitrile;

Reference yield: 99.0%

1-(3-Bromophenyl)ethanone (2142-63-4) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 3-bromobenzoylacetate (21575-91-7)

Guidance literature:

With sodium hydride; In benzene; Heating;

DOI:10.1021/jm0510676

Reference yield: 93.0%

oxalic acid diethyl ester (95-92-1) → ethyl 3-bromobenzoylacetate (21575-91-7)

Guidance literature:

1-(3-Bromophenyl)ethanone; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 - 20 ℃; for 0.583333h;

oxalic acid diethyl ester; In DMF (N,N-dimethyl-formamide); at 0 - 20 ℃; for 16h;

With hydrogenchloride; water; In DMF (N,N-dimethyl-formamide);

upstream raw materials:

1-(3-Bromophenyl)ethanone

Diethyl carbonate

ethyl 3-bromobenzoate

ethyl acetate

Downstream raw materials:

2-amino-6-(3-bromophenyl)-3H-pyrimidin-4-one

5-(3-Bromo-phenyl)-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3,4-dicarboxylic acid diethyl ester

5-(3-Bromo-phenyl)-1-(3-chloro-phenyl)-1H-pyrazole-3,4-dicarboxylic acid diethyl ester

5-(3-Bromo-phenyl)-1-m-tolyl-1H-pyrazole-3,4-dicarboxylic acid diethyl ester

Refernces

• 1、 He, Jiayin,Huang, An,Ling, Fei,Wang, Shiliang,Wang, Yifan,Wang, Ze,Zhao, Xianghua,Zhong, Weihui. "Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of Racemic β’-Keto-β-Amino Esters via Dynamic Kinetic Resolution". supporting information. p. 4714 - 4719. Retrieved 2021/09/02.
• 2、 Fan, Jiajie,Lin, Xianfu,Peng, Yongzhen,Wang, Anlin,Wu, Qi,Xu, Jian,Xu, Weihua,Yu, Huilei. "Double Enzyme-Catalyzed One-Pot Synthesis of Enantiocomplementary Vicinal Fluoro Alcohols". supporting information. . Retrieved 2020/07/24.