(4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone

Base Information

Chemical Name:(4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone
CAS No.:91855-74-2
Molecular Formula:C17H17N3O3
Molecular Weight:311.34
Hs Code.:
DSSTox Substance ID:DTXSID80524491
Wikidata:Q82391388

Synonyms:91855-74-2;SCHEMBL7351282;DTXSID80524491;(4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone

Suppliers and Price of (4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:311.12699141
Heavy Atom Count:23
Complexity:443

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of (4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone

There total 1 articles about (4-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl)(4-nitrophenyl)methanone 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:

: 122-04-3
4-nitro-benzoyl chloride

: 5163-19-9
4-methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

: 91855-74-2
(4-Methyl-2,3,4,5-tetrahydro-benzo[e][1,4]diazepin-1-yl)-(4-nitro-phenyl)-methanone

Guidance literature:: With triethylamine; In dichloromethane; for 1h; Ambient temperature;
DOI:10.1021/jm960133o

Reference yield:

: 91855-74-2
(4-Methyl-2,3,4,5-tetrahydro-benzo[e][1,4]diazepin-1-yl)-(4-nitro-phenyl)-methanone

: 137975-52-1
(4-Amino-phenyl)-(4-methyl-2,3,4,5-tetrahydro-benzo[e][1,4]diazepin-1-yl)-methanone

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; for 5h; under 760 Torr; Ambient temperature;
DOI:10.1021/jm960133o

Reference yield:

: 91855-74-2
(4-Methyl-2,3,4,5-tetrahydro-benzo[e][1,4]diazepin-1-yl)-(4-nitro-phenyl)-methanone

: 1-[4-(2-Methylbenzoylamino)benzoyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / ethanol / 5 h / 760 Torr / Ambient temperature

2: Et₃N / CH₂Cl₂ / 2 h / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane;
DOI:10.1021/jm960133o