2-Amino-5-chlorobenzophenone

Base Information

• Chemical Name: 2-Amino-5-chlorobenzophenone
• CAS No.: 719-59-5
• Deprecated CAS: 68863-78-5,853942-39-9,853942-39-9
• Molecular Formula: C13H10ClNO
• Molecular Weight: 231.681
• Hs Code.: 29223900
• European Community (EC) Number: 211-949-7
• NSC Number: 84157
• UNII: FR80014ZBT
• DSSTox Substance ID: DTXSID0052463
• Nikkaji Number: J38.364C
• Wikidata: Q27278146
• ChEMBL ID: CHEMBL1417425
• Mol file: 719-59-5.mol

Synonyms:2-ACB;2-amino-5-chlorobenzophenone

Chemical Property of 2-Amino-5-chlorobenzophenone

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 2.09E-07mmHg at 25°C
• Melting Point: 96-98 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 424.3 °C at 760 mmHg
• PKA: 0.06±0.10(Predicted)
• Flash Point: 210.4 °C
• PSA: 43.09000
• Density: 1.274 g/cm³
• LogP: 3.73440
• Storage Temp.: -20°C Freezer
• Solubility.: Solubility in methanol gives very faint turbidity. Soluble in DM
• 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-[[5- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn， Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N
• Uses: A metabolite of Diazepam; it had a much weaker anticonvulsant effect. It is used in the heterocyclic syntheses based on the reactions of dimethyl acetylenedicarboxylate.

Technology Process of 2-Amino-5-chlorobenzophenone

There total 92 articles about 2-Amino-5-chlorobenzophenone 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: 96.0%

2-amino-5-chlorobenzonitrile (5922-60-1) + phenylboronic acid (98-80-6) → 5-chloro-2-aminobenzophenone (719-59-5)

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: 92.0%

2-amino-5-chlorobenzonitrile (5922-60-1) + sodium benzenesulfonate (873-55-2) → 5-chloro-2-aminobenzophenone (719-59-5)

Guidance literature:

With p-nitrobenzenesulfonic acid; palladium diacetate; In tetrahydrofuran; water; at 80 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules19056439

Reference yield: 92.0%

2-Amino-5-chlorobenzophenone N,N-dimethylhydrazone → 5-chloro-2-aminobenzophenone (719-59-5)

Guidance literature:

With triethylene diamine nickel thiosulfate; water; In chloroform; at 20 ℃; for 0.166667h;

upstream raw materials:

N-(2-benzoyl-4-chlorophenyl)acetamide

N-Benzoyl-2-amino-5-chlorobenzophenone

4-chloro-aniline

benzoyl chloride

Downstream raw materials:

2-{[(5-chlorobenzophenon-2-yl)imino]methyl}-phenol

6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester

1-(2-amino-5-chlorophenyl)-1-phenylethan-1-ol

(5-chloro-2-((3-chloro-2-hydroxypropyl)amino)phenyl)(phenyl)methanone