Flutemazepam

Base Information

• Chemical Name: Flutemazepam
• CAS No.: 52391-89-6
• Molecular Formula: C16H12 Cl F N2 O2
• Molecular Weight: 318.735
• European Community (EC) Number: 257-892-1
• UNII: J8U5694BCW
• DSSTox Substance ID: DTXSID10866255
• Nikkaji Number: J69.319G
• Wikipedia: Flutemazepam
• Wikidata: Q5462967
• NCI Thesaurus Code: C65738
• ChEMBL ID: CHEMBL291770
• Mol file: 52391-89-6.mol

Synonyms:7-chloro-1,3-dihydro-1-methyl-3-hydroxy-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one;SAS 646

Chemical Property of Flutemazepam

Chemical Property:

• Vapor Pressure: 6.08E-13mmHg at 25°C
• Melting Point: 162-164 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 550.3°Cat760mmHg
• PKA: 11.58±0.40(Predicted)
• Flash Point: 286.6°C
• PSA: 52.90000
• Density: 1.4g/cm³
• LogP: 2.11190
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 318.0571335
• Heavy Atom Count: 22
• Complexity: 473

Purity/Quality:

99% ^*data from raw suppliers

FLUTEMAZEPAM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3F

Technology Process of Flutemazepam

There total 3 articles about Flutemazepam 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:

Trifluoro-acetic acid 7-chloro-5-(2-fluoro-phenyl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester (89722-84-9) → 7-chloro-5-(2-fluoro-phenyl)-3-hydroxy-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one (52391-89-6)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 25 ℃; for 18h; Yield given;

DOI:10.1016/S0022-1139(00)85140-4

Reference yield:

7-chloro-5-(2-fluoro-phenyl)-1-methyl-4-oxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one (41300-29-2) → 7-chloro-5-(2-fluoro-phenyl)-3-hydroxy-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one (52391-89-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.5 h

2: aq. 5 percent sodium bicarbonate / ethanol / 18 h / 25 °C

With sodium hydrogencarbonate; In ethanol;

DOI:10.1016/S0022-1139(00)85140-4

Reference yield:

→ 7-chloro-5-(2-fluoro-phenyl)-3-hydroxy-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one (52391-89-6)

Guidance literature:

aus 3-Acetoxyverb. d. Hydrolyse;

upstream raw materials:

Trifluoro-acetic acid 7-chloro-5-(2-fluoro-phenyl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester

7-chloro-5-(2-fluoro-phenyl)-1-methyl-4-oxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Downstream raw materials:

7-chloro-3-fluoro-5-(2-fluoro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Refernces