4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER

Base Information

• Chemical Name: 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER
• CAS No.: 30913-87-2
• Molecular Formula: C12H13 Br O3
• Molecular Weight: 285.137
• Hs Code.: 2918300090
• Mol file: 30913-87-2.mol

Synonyms:Propionicacid, 3-(p-bromobenzoyl)-, ethyl ester (8CI); Ethyl b-(4-bromobenzoyl)propionate

Chemical Property of 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 7.23E-06mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 376.5°Cat760mmHg
• Flash Point: 181.5°C
• PSA: 43.37000
• Density: 1.379g/cm³
• LogP: 2.97510
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl4-(4-bromophenyl)-4-oxobutyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER

There total 21 articles about 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC 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: 97.0%

ethanol (64-17-5) + 4-oxo-4-(4-bromophenyl)butanoic acid (6340-79-0) → 4-(4-bromophenyl)-4-oxobutanoic acid ethyl ester (30913-87-2)

Guidance literature:

With sulfuric acid; for 3h; Heating;

DOI:10.1016/j.bmc.2007.11.030

Reference yield: 95.0%

ethyl 2-sulfanylacetate (623-51-8) + 4-bromo-1-(1-iodoethenyl)benzene → 4-(4-bromophenyl)-4-oxobutanoic acid ethyl ester (30913-87-2)

Guidance literature:

With oxygen; C₄₂H₃₄F₁₀IrN₄⁽¹⁺⁾*F₆P^(1-); triethylamine; triphenylphosphine; In dichloromethane; at 20 ℃; for 7h; Irradiation;

DOI:10.1021/acs.orglett.1c02208

Reference yield: 93.0%

2-chloro-2-(4-bromophenyl)ethene (41876-64-6) + ethyl 2-sulfanylacetate (623-51-8) → 4-(4-bromophenyl)-4-oxobutanoic acid ethyl ester (30913-87-2)

Guidance literature:

With oxygen; C₄₂H₃₄F₁₀IrN₄⁽¹⁺⁾*F₆P^(1-); triethylamine; triphenylphosphine; In dichloromethane; at 20 ℃; for 7h; Irradiation;

DOI:10.1021/acs.orglett.1c02208

upstream raw materials:

2-ethoxypyrrolin-5-one

1.4-dibromobenzene

(Z)-4-(4-Bromo-phenyl)-4-oxo-but-2-enoic acid ethyl ester

4-(4-bromophenyl)-4-hydroxybut-2-ynoic acid ethyl ester

Downstream raw materials:

2-(4-bromophenyl)-5-ethoxythiophene

4-(4-dec-1-ynyl-phenyl)-4-oxo-butyric acid ethyl ester

4-[4-(3-benzyloxy-prop-1-ynyl)-phenyl]-4-oxo-butyric acid ethyl ester

4-[4-(3-hydroxy-prop-1-ynyl)-phenyl]-4-oxo-butyric acid ethyl ester

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