Acetamide, N-(2-benzoylphenyl)-2,2,2-trichloro-

Base Information

• Chemical Name: Acetamide, N-(2-benzoylphenyl)-2,2,2-trichloro-
• CAS No.: 35382-88-8
• Molecular Formula: C15H10Cl3NO2
• Molecular Weight: 342.60400
• DSSTox Substance ID: DTXSID30405660
• Nikkaji Number: J2.025.051H
• Mol file: 35382-88-8.mol

Synonyms:35382-88-8;Acetamide, N-(2-benzoylphenyl)-2,2,2-trichloro-;N-(Benzoylphenyl)-2,2,2-trichloroacetamide;N-(2-benzoylphenyl)-2,2,2-trichloroacetamide;SCHEMBL8569129;DTXSID30405660;AKOS002789251

Chemical Property of Acetamide, N-(2-benzoylphenyl)-2,2,2-trichloro-

Chemical Property:

• PSA: 49.66000
• LogP: 4.87580
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 340.977712
• Heavy Atom Count: 21
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

N-(Benzoylphenyl)-2,2,2-trichloroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C(Cl)(Cl)Cl
• Uses: N-(Benzoylphenyl)-2,2,2-trichloroacetamide is a reagent used in the preparation of pharmaceuticals. Participates in the synthesis of Afacifenacin (A355005), a stereoisomer of afacifenacin (A355000) which acts as a sodium/calcium exchanger inhibitor used in the prevention of reperfusion injury associated with restoration of coronary blood flow via surgery.

Technology Process of Acetamide, N-(2-benzoylphenyl)-2,2,2-trichloro-

There total 2 articles about Acetamide, N-(2-benzoylphenyl)-2,2,2-trichloro- 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: 89.0%

(2-aminophenyl)(phenyl)methanone (2835-77-0) + trifluoroacetyl chloride (76-02-8) → N-(2-benzoylphenyl)-2,2,2-trichloroacetamide (35382-88-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2005.03.019

Reference yield:

→ N-(2-benzoylphenyl)-2,2,2-trichloroacetamide (35382-88-8)

Guidance literature:

2-Aminobenzophenon, CCl3COCl;

Reference yield: 99.0%

N-(2-benzoylphenyl)-2,2,2-trichloroacetamide (35382-88-8) + N-benzylethylenediamine (4152-09-4) → 3-[2-(benzylamino)ethyl]-4-phenyl-4-(trichloromethyl)-3,4-dihydroquinazolin-2(1H)-one (853942-73-1)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmc.2005.03.019

upstream raw materials:

(2-aminophenyl)(phenyl)methanone

trifluoroacetyl chloride

Downstream raw materials:

4-phenyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

3-[2-(ethylamino)ethyl]-4-phenyl-4-(trichloromethyl)-3,4-dihydroquinazolin-2(1H)-one

3-[4-(diethylamino)butyl]-4-phenyl-4-(trichloromethyl)-3,4-dihydroquinazolin-2(1H)-one

3-(4-ethoxyethyl)-4-phenyl-4-(trichloromethyl)-3,4-dihydroquinazolin-2(1H)-one