2-Amino-5-chlorobenzophenone oxime

Base Information

• Chemical Name: 2-Amino-5-chlorobenzophenone oxime
• CAS No.: 18097-52-4
• Molecular Formula: C13H11 Cl N2 O
• Molecular Weight: 246.696
• Hs Code.: 29280090
• European Community (EC) Number: 241-999-5
• UNII: A4AZJ6W4EQ
• DSSTox Substance ID: DTXSID901230398
• Nikkaji Number: J153.949C
• ChEMBL ID: CHEMBL3208177
• Mol file: 18097-52-4.mol

Synonyms:2-Amino-5-chlorobenzophenone oxime;18097-52-4;(2-Amino-5-chlorophenyl)(phenyl)methanone oxime;Methanone, (2-amino-5-chlorophenyl)phenyl-, oxime;(1E)-(2-Amino-5-chlorophenyl)phenylmethanone oxime;Benzophenone, 2-amino-5-chloro-, oxime;(2-Amino-5-chlorophenyl)phenylmethanone oxime;4-chloro-2-[(hydroxyimino)(phenyl)methyl]aniline;(Z)-2-Amino-5-chlorobenzophenone oxime;A4AZJ6W4EQ;MLS000078203;2-Amino-5-chlorbenzophenonoxim;CHEMBL3208177;HMS551D11;CHEBI:190626;GCAVNCINXJNLED-DTQAZKPQSA-N;DTXSID901230398;(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine;CCG-48409;STK806178;AKOS000279605;CS-T-02287;anti-2-Amino-5-chlorobenzophenone oxime;SMR000034150;2-Amino-5-chlorobenzophenone oxime, (E)-;Benzophenone, 2-amino-5-chloro-, oxime, (E)-;(2-Amino-5-chloro-phenyl)-phenyl-methanone oxime;2-Amino-5-chlorobenzophenone I+/--oxime-, (Z)-;A812573;SR-01000414316;SR-01000414316-1;SR-01000414316-2;W-109174;4-chloro-2-[(E)-(hydroxyimino)(phenyl)methyl]aniline;(E)-(2-Amino-5-chlorophenyl)(phenyl)methanone oxime #;Methanone, (2-amino-5-chlorophenyl)phenyl-, oxime, (1E)-;Methanone, (2-amino-5-chlorophenyl)phenyl-, oxime, (E)-;(E)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine

Chemical Property of 2-Amino-5-chlorobenzophenone oxime

Chemical Property:

• Vapor Pressure: 2.47E-08mmHg at 25°C
• Boiling Point: 434.9°Cat760mmHg
• Flash Point: 216.8°C
• PSA: 58.61000
• Density: 1.27g/cm³
• LogP: 3.73000
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.0559907
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

99.9% ^*data from raw suppliers

2-Amino-5-chlorobenzophenone Oxime ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NO)C2=C(C=CC(=C2)Cl)N
• Isomeric SMILES: C1=CC=C(C=C1)/C(=N\O)/C2=C(C=CC(=C2)Cl)N
• Description: 2-Amino-5-Chlorobenzophenone is in the form of a yellow-brown crystalline powder. Its melting point is 98-100°C. It is used to produce intermediates for the synthesis of Oxazolam drug and intermediates for psychotherapeutic agents, such as chlorodiazepoxide and diazepam.1,2
• Uses: Intermediate in the preparation of Chlordiazepoxide (C327050) and its metabolites.

Technology Process of 2-Amino-5-chlorobenzophenone oxime

There total 2 articles about 2-Amino-5-chlorobenzophenone oxime 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%

5-chloro-2-aminobenzophenone (719-59-5) → 2-amino-5-chlorobenzophenone oxime (18097-52-4)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 10h; Heating;

DOI:10.1002/ardp.19943270204

Reference yield:

→ 2-amino-5-chlorobenzophenone oxime (18097-52-4)

Guidance literature:

2-Amino-5-chlorbenzophenon, Hydroxylamin;

Reference yield: 96.0%

phenyl isothiocyanate (103-72-0) + 2-amino-5-chlorobenzophenone oxime (18097-52-4) → 6-chloro-4-phenyl-2-(phenylamino)quinazoline 3-oxide (56664-22-3)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1039/c9ob00349e

upstream raw materials:

5-chloro-2-aminobenzophenone

Downstream raw materials:

Maleinsaeuremono-N<4-chlor-2-(oximinophenyl-methyl)phenyl>-amid

6-chloro-2-chloromethyl-4-phenylquinazoline-3-oxide

2-methyl-4-phenyl-6-chloroquinazoline

2-amino-5-chlorobenzhydrylamine

Refernces

• 1、 Lessel. "Mechanism of selective formation of 2-amino-substituted 1,4-benzodiazepin-4-oxides and 2-aminomethyl substituted quinazolin-3-oxides from chloromethyl quinazolin-N-oxides indications from perturbation theory". . p. 77 - 84. Retrieved 2007/10/02.