7-Aminoclonazepam

Base Information

• Chemical Name: 7-Aminoclonazepam
• CAS No.: 4959-17-5
• Molecular Formula: C15H12ClN3O
• Molecular Weight: 285.733
• European Community (EC) Number: 690-801-7
• UNII: 17D6640Q7Y
• DSSTox Substance ID: DTXSID90197913
• Nikkaji Number: J2.225J
• Wikidata: Q27251904
• Metabolomics Workbench ID: 49557
• ChEMBL ID: CHEMBL1273
• Mol file: 4959-17-5.mol

Synonyms:7-ACLZ;7-aminoclonazepam

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Chemical Property of 7-Aminoclonazepam

Chemical Property:

• Vapor Pressure: 4.69E-11mmHg at 25°C
• Melting Point: 226-228°C
• Refractive Index: 1.696
• Boiling Point: 523.5 °C at 760 mmHg
• PKA: 12.15±0.70(Predicted)
• Flash Point: 270.4 °C
• PSA: 67.48000
• Density: 1.41 g/cm³
• LogP: 2.86650
• Storage Temp.: Controlled Substance, -20?C Freezer
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 285.0668897
• Heavy Atom Count: 20
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37-26

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3Cl
• Uses: The major metabolite of Clonazepam (C587080).

Technology Process of 7-Aminoclonazepam

There total 9 articles about 7-Aminoclonazepam 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: 94.0%

5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one (364046-84-4,364046-86-6,1622-61-3) → 7-Aminoclonazepam (4959-17-5)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; under 2280.15 Torr;

DOI:10.1016/j.bmc.2008.04.059

Reference yield:

2'-chloro-5-nitro-2-aminobenzophenone (2011-66-7) → 7-Aminoclonazepam (4959-17-5)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium carbonate / dichloromethane / 0.17 h / Cooling with ice

2: sodium azide / dimethyl sulfoxide / 20 °C

3: triphenylphosphine / toluene / 100 °C / Sealed tube

4: iron; acetic acid / 50 °C

With sodium azide; iron; sodium carbonate; acetic acid; triphenylphosphine; In dichloromethane; dimethyl sulfoxide; toluene;

Reference yield:

2-bromo-2'-(2-chlorobenzoyl)-4'-nitroacetanilide (52130-87-7) → 7-Aminoclonazepam (4959-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium azide / dimethyl sulfoxide / 20 °C

2: triphenylphosphine / toluene / 100 °C / Sealed tube

3: iron; acetic acid / 50 °C

With sodium azide; iron; acetic acid; triphenylphosphine; In dimethyl sulfoxide; toluene;

upstream raw materials:

5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

2-amino-5-nitro-benzoic acid

2-methyl-6-nitro-4H-benzo[d][1,3]oxazin-4-one

2'-chloro-5-nitro-2-aminobenzophenone