Acetamide, N-(6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-9-yl)-

Base Information

• Chemical Name: Acetamide, N-(6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-9-yl)-
• CAS No.: 257891-46-6
• Molecular Formula: C₁₇H₂₂N₄O₂
• Molecular Weight: 314.387
• DSSTox Substance ID: DTXSID10948661
• Mol file: 257891-46-6.mol

Synonyms:257891-46-6;Acetamide, N-(6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-9-yl)-;Acetamide, N-[6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo[4,5,1-jk][1,4]benzodiazepin-9-yl]-;N-(cyclopropylmethyl-methyl-oxo-[?]yl)acetamide;DTXSID10948661;N-[6-(Cyclopropylmethyl)-2-hydroxy-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-9-yl]ethanimidic acid

Chemical Property of Acetamide, N-(6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-9-yl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.33g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 314.17427596
• Heavy Atom Count: 23
• Complexity: 507

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN2C3=C(CN1CC4CC4)C=C(C=C3NC2=O)NC(=O)C

Technology Process of Acetamide, N-(6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-9-yl)-

There total 2 articles about Acetamide, N-(6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-9-yl)- 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:

(S)-7-Cyclopropylmethyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one (136779-92-5) → (+)-(S)-N-[6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo[4,5,1-jk][1,4]benzodiazepin-9-yl]acetamide (257891-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) fuming nitric acid, 2.) hydrazine hydrate / 2.) Ra Ni / 1.) -50 deg C, 30 min, 2.) methanol, reflux, 20 min

2: 49 percent / tetrahydrofuran / 16 h

With nitric acid; hydrazine hydrate; nickel; In tetrahydrofuran;

DOI:10.1021/jm00005a006

Reference yield:

→ (+)-(S)-N-[6-(cyclopropylmethyl)-1,2,4,5,6,7-hexahydro-5-methyl-2-oxoimidazo[4,5,1-jk][1,4]benzodiazepin-9-yl]acetamide (257891-46-6)

Guidance literature:

upstream raw materials:

(S)-7-Cyclopropylmethyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one