2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-

Base Information

• Chemical Name: 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-
• CAS No.: 17270-12-1
• Molecular Formula: C15H11 Cl N2 O2
• Molecular Weight: 286.71
• Hs Code.: 2933990090
• UNII: L4S7R2H85B
• DSSTox Substance ID: DTXSID60938193
• Nikkaji Number: J108.100D
• Wikidata: Q107890759
• Mol file: 17270-12-1.mol

Synonyms:4'-hydroxydesmethyldiazepam

Chemical Property of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-

Chemical Property:

• Vapor Pressure: 9.54E-13mmHg at 25°C
• Boiling Point: 564.1°Cat760mmHg
• Flash Point: 294.9°C
• PSA: 61.69000
• Density: 1.385g/cm³
• LogP: 2.70180
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 286.0509053
• Heavy Atom Count: 20
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)O

Technology Process of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-

There total 3 articles about 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)- 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:

2-bromo-4'-chloro-2'-(4-hydroxybenzoyl)acetanilide (67445-86-7) → 4'-hydroxy-N-desmethyldiazepam (17270-12-1)

Guidance literature:

With ammonia; In ethanol; acetone;

Reference yield:

desmethyldiazepam (1088-11-5) → 4'-hydroxy-N-desmethyldiazepam (17270-12-1)

Guidance literature:

With mouse liver microsomes; NADPH; magnesium chloride; In water; for 0.0666667h; pH=7.4; Enzyme kinetics;

DOI:10.1007/BF02354284

Reference yield:

→ 4'-hydroxy-N-desmethyldiazepam (17270-12-1)

Guidance literature:

Bromacetyl-Verb. (VIII), NH3;

DOI:10.1002/jps.2600680715

upstream raw materials:

desmethyldiazepam

2-bromo-4'-chloro-2'-(4-hydroxybenzoyl)acetanilide