2,2,2-Trichloroethyl alpha-phenylbenzeneacetate

Base Information

• Chemical Name: 2,2,2-Trichloroethyl alpha-phenylbenzeneacetate
• CAS No.: 94598-40-0
• Molecular Formula: C16H13Cl3O2
• Molecular Weight: 343.637
• DSSTox Substance ID: DTXSID201261493
• Mol file: 94598-40-0.mol

Synonyms:2,2,2-Trichloroethyl alpha-phenylbenzeneacetate;SCHEMBL6996344;DTXSID201261493;94598-40-0

Chemical Property of 2,2,2-Trichloroethyl alpha-phenylbenzeneacetate

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 341.998113
• Heavy Atom Count: 21
• Complexity: 311

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-Trichloroethyl alpha-phenylbenzeneacetate

There total 1 articles about 2,2,2-Trichloroethyl alpha-phenylbenzeneacetate 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-diphenylacetic acid (117-34-0) + 2,2,2-Trichloroethyl chloroformate (17341-93-4) → di-(2,2,2-trichloroethyl)-carbonate (5634-37-7) + 2,2,2-trichloroethyl diphenylacetate (94598-40-0)

Guidance literature:

With dmap; triethylamine; Yield given. Multistep reaction. Yields of byproduct given; 1.) CH₂Cl₂, -78 deg C, 10 min, 2.) -78 deg C, 0.2 h;

DOI:10.1021/jo00205a004

Reference yield: 94.0%

hexan-1-amine (111-26-2) + 2,2,2-trichloroethyl diphenylacetate (94598-40-0) → N-hexyl-2,2-diphenylacetamide (334932-69-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 80 ℃; for 12h;

DOI:10.1139/cjc-2018-0234

Reference yield: 91.0%

phenethylamine (64-04-0) + 2,2,2-trichloroethyl diphenylacetate (94598-40-0) → N-phenethyl-2,2-diphenylacetamide (300717-27-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 80 ℃; for 12h;

DOI:10.1139/cjc-2018-0234

upstream raw materials:

2,2-diphenylacetic acid

2,2,2-Trichloroethyl chloroformate

Downstream raw materials:

N-phenethyl-2,2-diphenylacetamide

N-hexyl-2,2-diphenylacetamide