N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide
• CAS No.: 4016-85-7
• Molecular Formula: C15H11Cl2NO2
• Molecular Weight: 308.164
• Hs Code.: 2924299090
• European Community (EC) Number: 223-678-1
• NSC Number: 270127
• UNII: PN6505V1YM
• DSSTox Substance ID: DTXSID00193168
• Nikkaji Number: J23.135E
• Wikidata: Q72516845
• Mol file: 4016-85-7.mol

Synonyms:4016-85-7;N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide;2'-Benzoyl-2,4'-dichloroacetanilide;2-Chloroacetamido-5-chlorobenzophenone;Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-chloro-;2-Chloroacetamino-5-chlorobenzophenone;EINECS 223-678-1;NSC 270127;BRN 0805212;PN6505V1YM;2-(2-Chloroacetamido)-5-chlorobenzophenone;2-(2'-Chloroacetamido)-5-chlorobenzophenone;Chloroacetamido chlorobenzophenone;MFCD00018905;NSC-270127;N1-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide;C15H11Cl2NO2;NSC270127;UNII-PN6505V1YM;SCHEMBL5418944;2-chloro-N-[4-chloro-2-(phenylcarbonyl)phenyl]acetamide;DTXSID00193168;C15-H11-Cl2-N-O2;BCP26251;STK060352;AKOS000270740;LS-8175;2-chloroacetamido-5-chloro-benzophenone;AC-13759;AS-48234;2'-Benzoyl-2,4'-dichloroacetanilide, 97%;FT-0635103;N-(2-Benzoyl-4-chlorophenyl)chloroacetamide;EN300-01631;F20471;5-CHLORO-2-(CHLOROACETAMIDO)BENZOPHENONE;A824955;SR-01000005909;SR-01000005909-1;Z56896185;CHLOROACETAMIDO CHLOROBENZOPHENONE [USP IMPURITY];F0416-0012

Chemical Property of N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide

Chemical Property:

• Vapor Pressure: 1.3E-11mmHg at 25°C
• Melting Point: 119-123 °C(lit.)
• Refractive Index: 1.633
• Boiling Point: 537.2°C at 760 mmHg
• PKA: 11.44±0.70(Predicted)
• Flash Point: 278.7°C
• PSA: 46.17000
• Density: 1.375
• LogP: 3.82130
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 307.0166840
• Heavy Atom Count: 20
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

2''-Benzoyl-2,4''-dichloroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide

There total 5 articles about N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamide 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: 97.3%

5-chloro-2-aminobenzophenone (719-59-5) + chloroacetyl chloride (79-04-9) → 5-chloro-2-(chloroacetylamino)benzophenone (4016-85-7)

Guidance literature:

In toluene; at 10 - 20 ℃; for 3.5h;

DOI:10.1021/op068009u

Reference yield: 93.0%

5-chloro-2-aminobenzophenone (719-59-5) + N-(4-chlorophenyl)acetamide (539-03-7) → 5-chloro-2-(chloroacetylamino)benzophenone (4016-85-7)

Guidance literature:

In ethyl acetate; at 30 - 85 ℃; for 4.5h; Temperature;

Reference yield:

4-chloro-aniline (106-47-8) → 5-chloro-2-(chloroacetylamino)benzophenone (4016-85-7)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc(II) chloride

2: toluene / 0.02 h / Microwave irradiation

With zinc(II) chloride; In toluene;

DOI:10.1007/s00044-013-0582-8

upstream raw materials:

5-chloro-2-aminobenzophenone

chloroacetyl chloride

4-chloro-aniline

benzoyl chloride

Downstream raw materials:

1-(6-Chloro-2-oxo-4-phenyl-1,2-dihydro-quinolin-3-yl)-pyridinium; chloride

desmethyldiazepam

3-(2-benzoyl-4-chloro-phenyl)-imidazolidin-4-one

N,N'-methylenebis<3-(2-benzoyl-4'-chloro)phenyl>-4-imidazolidinone

Refernces

• 1、 -. "A synthetic method of a diazepam drug intermediate 2-chloroacetamido-5-chlorobenzophenone". Paragraph 0014; 0015. . Retrieved 2016/11/21.
• 2、 Singh, Rajesh K.,Prasad, D. N.,Bhardwaj, T. R.. "Synthesis, alkylation activity and physico-chemical evaluation of benzodiazepine linked nitrogen mustard agent to penetrate the blood-brain barrier". . p. 5605 - 5608,4. Retrieved 2020/09/15.