Acetic acid 1-(4-chlorophenyl)-2,2,2-trichloroethyl ester

Base Information

• Chemical Name: Acetic acid 1-(4-chlorophenyl)-2,2,2-trichloroethyl ester
• CAS No.: 63252-99-3
• Molecular Formula: C₁₀H₈Cl₄O₂
• Molecular Weight: 301.984
• NSC Number: 59895
• Nikkaji Number: J1.976.075H

Synonyms:NSC59895;NCIOpen2_007818;NSC-59895;63252-99-3

Chemical Property of Acetic acid 1-(4-chlorophenyl)-2,2,2-trichloroethyl ester

Chemical Property:

• Vapor Pressure: 3.96E-06mmHg at 25°C
• Boiling Point: 384.9°Cat760mmHg
• Flash Point: 158.3°C
• Density: 1.468g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 301.924890
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetic acid 1-(4-chlorophenyl)-2,2,2-trichloroethyl ester

There total 7 articles about Acetic acid 1-(4-chlorophenyl)-2,2,2-trichloroethyl 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:

2,2,2-trichloro-1-(4-chloro-phenyl)-ethanol (5333-82-4) + acetyl chloride (75-36-5) → 2,2,2-trichloro-(4-chlorophenyl)ethyl acetate (63252-99-3,66681-78-5)

Guidance literature:

DOI:10.1021/ja01167a085

Reference yield:

2,2,2-trichloro-1-(4-chloro-phenyl)-ethanol (5333-82-4) + acetic anhydride (108-24-7) → 2,2,2-trichloro-(4-chlorophenyl)ethyl acetate (63252-99-3,66681-78-5)

Guidance literature:

With sodium acetate;

Reference yield:

4-chlorobenzaldehyde (104-88-1) → 2,2,2-trichloro-(4-chlorophenyl)ethyl acetate (63252-99-3,66681-78-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH

2: 150 - 160 °C

With potassium hydroxide;

DOI:10.1021/ja01314a080

upstream raw materials:

2,2,2-trichloro-1-(4-chloro-phenyl)-ethanol

acetic anhydride

acetic acid

acetyl chloride

Downstream raw materials:

4-chloro-1-(2,2-dichloroethenyl)benzene

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