(2-Amino-4-chlorophenyl)(phenyl)methanone

Base Information

• Chemical Name: (2-Amino-4-chlorophenyl)(phenyl)methanone
• CAS No.: 4076-50-0
• Molecular Formula: C13H10ClNO
• Molecular Weight: 231.681
• UNII: D44WXS9U4D
• Nikkaji Number: J80.743E
• Mol file: 4076-50-0.mol

Synonyms:4076-50-0;(2-Amino-4-chlorophenyl)(phenyl)methanone;2-Amino-4-Chlorobenzophenone;2-benzoyl-5-chloroaniline;Methanone, (2-amino-4-chlorophenyl)phenyl-;(2-amino-4-chlorophenyl)-phenylmethanone;D44WXS9U4D;4-chloro-2-aminobenzophenone;SCHEMBL1041696;YSZC1915;Benzophenone, 2-amino-4-chloro-;PELAWRHVRDOWQT-UHFFFAOYSA-N;AKOS013747427;(2-Amino-4-chlorophenyl)phenylmethanone;BS-49427;CS-0197211;E73939;EN300-200452

Chemical Property of (2-Amino-4-chlorophenyl)(phenyl)methanone

Chemical Property:

• PSA: 43.09000
• LogP: 3.73440
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.0450916
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

99%min ^*data from raw suppliers

2-Amino-4-chlorobenzophenone ^*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=C(C=C(C=C2)Cl)N

Technology Process of (2-Amino-4-chlorophenyl)(phenyl)methanone

There total 15 articles about (2-Amino-4-chlorophenyl)(phenyl)methanone 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: 92.0%

4-chloroanthranilic acid N-methoxy-N-methylamide (214971-18-3) + bromobenzene (108-86-1,52753-63-6) → 2-amino-4-chlorobenzophenone (4076-50-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -100 ℃; for 1h;

DOI:10.1021/jm051185t

Reference yield: 91.0%

2-amino-4-chlorobenzonitrile (38487-86-4) + phenylboronic acid (98-80-6) → 2-amino-4-chlorobenzophenone (4076-50-0)

Guidance literature:

With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate; water; In 2-methyltetrahydrofuran; at 80 ℃; for 36h; Schlenk technique;

DOI:10.1039/c4ob00978a

Reference yield: 80.0%

2-amino-4-chlorobenzonitrile (38487-86-4) + phenylmagnesium bromide (100-58-3) → 2-amino-4-chlorobenzophenone (4076-50-0)

Guidance literature:

2-amino-4-chlorobenzonitrile; phenylmagnesium bromide; In tetrahydrofuran; at 23 ℃; for 16h;

With hydrogenchloride; water; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1021/jo8015456

upstream raw materials:

4-chloro-2-(toluene-4-sulfonylamino)-benzoyl chloride

benzene

N-(2-benzoyl-5-chlorophenyl)acetamide

benzonitrile

Downstream raw materials:

2-Amino-4-chlorobenzhydrol

(1R,2S,6R,7S)-4-(2-Benzoyl-5-chloro-phenyl)-10-oxa-4-aza-tricyclo[5.2.1.0^2,6]decane-3,5-dione

3-(2-Benzoyl-5-chloro-phenylcarbamoyl)-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid

1-Phenyl-1-<4-chlor-2-amino-phenyl>-aethanol

Refernces

• 1、 Rodríguez, José F.,Zhang, Anji,Arora, Ramon,Lautens, Mark. "Synthesis of 1-Amino-2,2,2-trifluoroalkylphosphonates from Alkene-Tethered Trifluoroacetimidoyl Chlorides". supporting information. p. 7540 - 7544. Retrieved 2021/10/12.
• 2、 Fan, Hui,Xu, Shijie,Yang, Fan,Zhang, Xiaoxiang,Zhao, Xuechun. "One-Pot Synthesis of 2-Aminobenzophenones from 2-Alkynyl Arylazides Catalyzed by Pd and Cu Precursors". supporting information. p. 4555 - 4558. Retrieved 2021/08/30.