1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one

Base Information

• Chemical Name: 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
• CAS No.: 89141-65-1
• Molecular Formula: C17H15N3O3
• Molecular Weight: 309.3193
• DSSTox Substance ID: DTXSID501008668

Synonyms:BRN 5612109;1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one;2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-1,3-DIMETHYL-7-NITRO-5-PHENYL-;89141-65-1;SCHEMBL3783696;DTXSID501008668;LS-34291;1,3-dihydro-1,3-dimethyl-5-phenyl-7-nitro-2h-1,4-benzodiazepin-2-one;1,3-Dimethyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Chemical Property of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one

Chemical Property:

• Vapor Pressure: 1.31E-11mmHg at 25°C
• Boiling Point: 537.1°Cat760mmHg
• Flash Point: 278.7°C
• Density: 1.3g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 309.11134135
• Heavy Atom Count: 23
• Complexity: 508

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one

There total 2 articles about 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-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: 87.6%

1-Methyl-2-(1'-aminoethyl)-3-phenyl-5-nitroindole (84858-13-9) → 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one (89141-65-1)

Guidance literature:

With chromium(VI) oxide; acetic acid; In water; at 20 ℃; for 20h;

DOI:10.1007/BF00765129

Reference yield: 35.0%

1,3-dimethyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one (872111-71-2) → 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one (89141-65-1)

Guidance literature:

With sulfuric acid; potassium nitrate; at 50 ℃; for 3h;

DOI:10.1016/j.bmcl.2008.07.119

Reference yield: 95.0%

1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one (89141-65-1) → 7-amino-1,3-dimethyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one (1082051-84-0)

Guidance literature:

With hydrogenchloride; tin(II) dichloride dihydrate; In water; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2008.07.119

upstream raw materials:

1-Methyl-2-(1'-aminoethyl)-3-phenyl-5-nitroindole

1,3-dimethyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one

Downstream raw materials:

7-amino-1,3-dimethyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one

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