Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester

Base Information

• Chemical Name: Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester
• CAS No.: 30738-51-3
• Molecular Formula: C16H14 Cl2 O2
• Molecular Weight: 309.192
• NSC Number: 405412
• DSSTox Substance ID: DTXSID40184757
• Nikkaji Number: J2.199.740D
• Wikidata: Q83055694
• Mol file: 30738-51-3.mol

Synonyms:30738-51-3;Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester;Ethyl DDA;ethyl 2,2-bis(4-chlorophenyl)acetate;Bis(p-chlorophenyl)acetic acid, ethyl ester;SCHEMBL1626467;DTXSID40184757;NSC405412;NSC 405412;NSC-405412;Bis(4-chlorophenyl)acetic acid ethyl ester;Acetic acid, bis(p-chlorophenyl)-, ethyl ester;Benzeneacetic acid, 4-chloro-.alpha.-(4-chlorophenyl)-, ethyl ester

Chemical Property of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 1.35E-06mmHg at 25°C
• Boiling Point: 399.6°Cat760mmHg
• Flash Point: 150.9°C
• Density: 1.254g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 308.0370851
• Heavy Atom Count: 20
• Complexity: 284

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

Technology Process of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester

There total 15 articles about Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, 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: 88.0%

4,4'-dichlorobenzoin (4254-20-0) + orthoformic acid triethyl ester (122-51-0) → ethyl 2,2-bis(4-chlorophenyl)acetate (30738-51-3)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; stereospecific reaction;

DOI:10.1021/ol500292c

Reference yield: 71.0%

ethanol (64-17-5) + 4,4'-dichlorobenzil (3457-46-3,88372-92-3) → ethyl 2,2-bis(4-chlorophenyl)acetate (30738-51-3)

Guidance literature:

With 5,6-bis(5-methoxythiophen-2-yl)pyrazine-2,3-dicarbonitrile; triethyl phosphite; In 1,2-dichloro-ethane; at 20 ℃; for 48h; Schlenk technique; Inert atmosphere; Irradiation;

Reference yield: 71.0%

diazoacetic acid ethyl ester (623-73-4) + 1-Chloro-4-iodobenzene (637-87-6) → ethyl 2,2-bis(4-chlorophenyl)acetate (30738-51-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; silver carbonate; In toluene; at 20 - 65 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja513275c

upstream raw materials:

ethanol

bis(4'-chlorophenyl)acetic acid

1,1,1-trifluoro-2,2-bis(p-chlorophenyl)ethane

sodium ethanolate

Downstream raw materials:

diethyl 2-(2,2-bis(4-chlorophenyl)propanoyl)-malonate

C₁₅H₁₁Cl₃O

tert-Butyl 4-(2-(3,3-bis(4-chlorophenyl)-2-oxopyrrolidin-1-yl)acetyl)piperazine-1-carboxylate

2-(3,3-Bis(4-chlorophenyl)-2-oxopyrrolidin-1-yl)acetic acid

Refernces

• 1、 Jiang, Zhiyong,Li, Haijun,Wei, Guo,Yang, Hui. "Photoredox Catalytic Phosphite-Mediated Deoxygenation of α-Diketones Enables Wolff Rearrangement and Staudinger Synthesis of β-Lactams". supporting information. p. 19696 - 19700. Retrieved 2021/08/03.
• 2、 -. "Diaryl acetate compound and preparation method thereof". Paragraph 0025-0027. . Retrieved 2020/04/29.