3-Amino-1,3-dihydro-1-nicotinoylmethyl-5-phenyl-2H-1,4-benzodiazepin-2-one

Base Information

Chemical Name:3-Amino-1,3-dihydro-1-nicotinoylmethyl-5-phenyl-2H-1,4-benzodiazepin-2-one
CAS No.:145084-49-7
Molecular Formula:C₂₂H₁₈N₄O₂
Molecular Weight:370.411
Hs Code.:
DSSTox Substance ID:DTXSID101126816

Synonyms:SCHEMBL9091371;IMXPHTVXYCKHOA-UHFFFAOYSA-N;DTXSID101126816;3-Amino-1,3-dihydro-1-[2-oxo-2-(3-pyridinyl)ethyl]-5-phenyl-2H-1,4-benzodiazepin-2-one;3-Amino-1,3-dihydro-1-nicotinoylmethyl-5-phenyl-2H-1,4-benzodiazepin-2-one;145084-49-7

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

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Chemical Property of 3-Amino-1,3-dihydro-1-nicotinoylmethyl-5-phenyl-2H-1,4-benzodiazepin-2-one

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:370.14297583
Heavy Atom Count:28
Complexity:614

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CN=CC=C4)N

Technology Process of 3-Amino-1,3-dihydro-1-nicotinoylmethyl-5-phenyl-2H-1,4-benzodiazepin-2-one

There total 4 articles about 3-Amino-1,3-dihydro-1-nicotinoylmethyl-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: 39.0%

: 145084-51-1
1-(2-Oxo-2-pyridin-3-yl-ethyl)-5-phenyl-1H-benzo[e][1,4]diazepine-2,3-dione 3-oxime

: 145084-49-7
3-Amino-1-(2-oxo-2-pyridin-3-yl-ethyl)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: With hydrogen; Ru-carbon; In methanol; at 60 ℃; under 6080 Torr;
DOI:10.1248/cpb.43.2159

Reference yield:

: 17694-68-7
3-(2-bromoacetyl)pyridine hydrobromide

: 145084-49-7
3-Amino-1-(2-oxo-2-pyridin-3-yl-ethyl)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, RT, 15 min, 2.) DMF, RT, 4 h

2: 1.) t-BuOK, 2.) i-AmONO / 1.) toluene, -20 deg C, 45 min, 2.) toluene, from -20 to -15 deg C, 2 h

3: 39 percent / H₂ / 5percent Ru/C / methanol / 60 °C / 6080 Torr

With potassium tert-butylate; hydrogen; sodium hydride; isopentyl nitrite; Ru-carbon; In methanol;
DOI:10.1248/cpb.43.2159

Reference yield:

: 145084-50-0
1,3-dihydro-1-nicotinoylmethyl-5-phenyl-2H-1,4-benzodiazepin-2-one

: 145084-49-7
3-Amino-1-(2-oxo-2-pyridin-3-yl-ethyl)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) t-BuOK, 2.) i-AmONO / 1.) toluene, -20 deg C, 45 min, 2.) toluene, from -20 to -15 deg C, 2 h

2: 39 percent / H₂ / 5percent Ru/C / methanol / 60 °C / 6080 Torr

With potassium tert-butylate; hydrogen; isopentyl nitrite; Ru-carbon; In methanol;
DOI:10.1248/cpb.43.2159