3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol

Base Information

• Chemical Name: 3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol
• CAS No.: 27610-14-6
• Molecular Formula: C14H12 Cl N3 O
• Molecular Weight: 273.722
• Hs Code.: 2933990090
• European Community (EC) Number: 248-569-6
• DSSTox Substance ID: DTXSID90950282
• Nikkaji Number: J29.048C
• Mol file: 27610-14-6.mol

Synonyms:27610-14-6;3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol;3-amino-6-chloro-4-phenyl-3,4-dihydroquinazolin-4-ol;3-amino-6-chloro-4-phenylquinazolin-4-ol;EINECS 248-569-6;3-amino-6-chloro-4-phenyl-3,4-dihydro-4-quinazolinol;C14H12ClN3O;SCHEMBL11632615;DTXSID90950282;AK-830/13217184;4-Quinazolinol, 3-amino-6-chloro-3,4-dihydro-4-phenyl-;3-Amino-6-chloro-3,4-dihydro-4-hydroxy-4-phenylquinazoline

Chemical Property of 3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol

Chemical Property:

• Vapor Pressure: 9.23E-11mmHg at 25°C
• Boiling Point: 498.6°Cat760mmHg
• Flash Point: 255.4°C
• PSA: 61.85000
• Density: 1.39g/cm³
• LogP: 2.45630
• Solubility.: Dimethylformamide, DMSO, Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 273.0668897
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-6-chloro-3,4-dihydro-4-phenyl-4-quinazolinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Cl)N=CN2N)O
• Uses: 3-Amino-6-chloro-3,4-dihydro-4-phenyl-4-quinazolinol is an intermediate in the synthesis of 1-Chloroacetyl-2-[[(2-benzoyl-4-chlorophenyl)(2-chloroacetyl)amino]methylene]hydrazide (C363470). which is a derivative of 2-Amino-5-chlorobenzophenone (A603490); a metabolite of Diazepam (D416855) with a much weaker anticonvulsant effect.

Technology Process of 3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol

There total 4 articles about 3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol 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: 95.0%

N-(2-benzoyl-4-chlorophenyl)formamide (10352-28-0) → 3-amino-6-chloro-3,4-dihydro-4-hydroxy-4-phenylquinazoline (27610-14-6)

Guidance literature:

With hydrazine hydrate; In ethanol;

Reference yield:

5-chloro-2-aminobenzophenone (719-59-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-amino-6-chloro-3,4-dihydro-4-hydroxy-4-phenylquinazoline (27610-14-6)

Guidance literature:

5-chloro-2-aminobenzophenone; N,N-dimethyl-formamide; With trichlorophosphate; In dichloromethane; cyclohexene; at 20 - 25 ℃; for 1h; Large scale;

With hydrazine hydrate; acetic acid; In ethanol; at 40 - 43 ℃; for 1h; Temperature; Large scale;

Reference yield:

formic acid (64-18-6) + 5-chloro-2-aminobenzophenone (719-59-5) → 3-amino-6-chloro-3,4-dihydro-4-hydroxy-4-phenylquinazoline (27610-14-6)

Guidance literature:

With hydrazine hydrate;

DOI:10.1021/jm00354a015

upstream raw materials:

formic acid

5-chloro-2-aminobenzophenone

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

N,N-dimethyl-formamide

Downstream raw materials:

1,3-Dioxo-2-isoindolineacetic Acid, <methylene>hydrazine

3-<<<(benzyloxycarbonyl)glycyl>glycyl>amino>-6-chloro-3,4-dihydro-4-hydroxy-4-phenylquinazoline

6-chloro-4-phenylquinazoline

glycine [4-(2-benzoyl-4-chloro-phenyl)-4H-[1,2,4]triazol-3-ylmethyl]-amide