5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

Base Information

• Chemical Name: 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
• CAS No.: 67027-56-9
• Deprecated CAS: 80080-95-1
• Molecular Formula: C16H12ClN3O3
• Molecular Weight: 329.743
• UNII: S2LNK3PC4U
• DSSTox Substance ID: DTXSID60866700
• Nikkaji Number: J1.586.195I

Synonyms:(+)-(S)-5-(o-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one;(R)-meclonazepam;2H-1,4-benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (R)-;2H-1,4-benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (S)-;3-methylclonazepam;5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro- 2H-1,4-benzodiazepin-2-one;meclonazepam;meclonazepam, (R)-isomer;meclonazepam, (S)-isomer;meclonazepamum;Ro 11-3128;RO 11-3128 002;RO 11-3128-002;Ro 11-3624;RO 11-3624-001;RO-11-3128;Ro-11-3624;Ro11-3128;RO11-3624

Chemical Property of 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

Chemical Property:

• Vapor Pressure: 5.34E-11mmHg at 25°C
• Refractive Index: 1.686
• Boiling Point: 522.1°Cat760mmHg
• Flash Point: 269.6°C
• PSA: 90.77000
• Density: 1.46g/cm³
• LogP: 3.47010
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 329.0567189
• Heavy Atom Count: 23
• Complexity: 519

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

Technology Process of 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

There total 1 articles about 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one 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:

→ (+)-5-(o-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one (67027-56-9,58662-84-3,80080-95-1)

Guidance literature:

Reference yield: 90.0%

(+)-5-(o-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one (67027-56-9,58662-84-3,80080-95-1) → C16H14ClN3O3 (1028633-79-5)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2008.02.077

Reference yield: 50.0%

(+)-5-(o-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one (67027-56-9,58662-84-3,80080-95-1) → C16H14ClN3O (1028633-52-4)

Guidance literature:

With hydrogenchloride; tin; In ethanol; Heating;

DOI:10.1016/j.bmcl.2008.02.077

Downstream raw materials:

5-(2-chloro-phenyl)-3-methyl-7-nitro-1,3-dihydro-benzo[e][1,4]diazepine-2-thione

C₁₆H₁₄ClN₃O₃

C₁₆H₁₄ClN₃O

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