1-(4-Aminophenyl)-3-methylcarbamoyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine

Base Information

• Chemical Name: 1-(4-Aminophenyl)-3-methylcarbamoyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine
• CAS No.: 143692-18-6
• Molecular Formula: C₁₉H₂₀N₄O₃
• Molecular Weight: 352.393
• UNII: X46FC5N190
• DSSTox Substance ID: DTXSID30276296
• Nikkaji Number: J593.941K
• Wikidata: Q12064249
• ChEMBL ID: CHEMBL267450
• Mol file: 143692-18-6.mol

Synonyms:1-(4-aminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazepine;GYKI 53655;GYKI-53655;LY 300168

Chemical Property of 1-(4-Aminophenyl)-3-methylcarbamoyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine

Chemical Property:

• PSA: 92.67000
• Density: 1.41
• LogP: 2.49500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 352.15354051
• Heavy Atom Count: 26
• Complexity: 561

Purity/Quality:

99%, ^*data from raw suppliers

GYKI 53655 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3

Technology Process of 1-(4-Aminophenyl)-3-methylcarbamoyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine

There total 7 articles about 1-(4-Aminophenyl)-3-methylcarbamoyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine 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: 96.0%

(+)-4-methyl-3-methylcarbamoyl-7,8-methylenedioxy-1-(4-nitrophenyl)-4,5-dihydro-3H-2,3-benzodiazepine → (-)-1-(4-aminophenyl)-4-methyl-3-methylcarbamoyl-7,8-methylenedioxy-4,5-dihydro-3H-2,3-benzodiazepine (161832-71-9,143692-18-6)

Guidance literature:

With nickel; hydrazine hydrate; In methanol; for 1h; Ambient temperature;

Reference yield: 95.0%

(-)-4-methyl-3-methylcarbamoyl-7,8-methylenedioxy-1-(4-nitrophenyl)-4,5-dihydro-3H-2,3-benzodiazepine → (+)-1-(4-aminophenyl)-4-methyl-3-methylcarbamoyl-7,8-methylenedioxy-4,5-dihydro-3H-2,3-benzodiazepine (161832-71-9,143692-18-6)

Guidance literature:

With nickel; hydrazine hydrate; In methanol; for 1h; Ambient temperature;

Reference yield: 71.4%

→ 1-(4-Acetylaminophenyl)-3-methylcarbamoyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine (143692-26-6) + 1-(4-aminophenyl)-3-methylcarbamyl-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine (161832-71-9,143692-18-6)

Guidance literature:

upstream raw materials:

1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine

methyl isocyanate

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