Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-methylphenyl)-

Base Information

• Chemical Name: Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-methylphenyl)-
• CAS No.: 133307-91-2
• Molecular Formula: C₂₅H₃₁N₃
• Molecular Weight: 373.541
• DSSTox Substance ID: DTXSID00928058
• Nikkaji Number: J362.642C

Synonyms:BRN 4333507;133307-91-2;Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-methylphenyl)-;DTXSID00928058;LS-145807;3-Methyl-N-[2-(1,2,3,10a-tetrahydro-9H-spiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1'-cyclopentan]-9-yl)ethyl]aniline;9-[2-(3-Methylanilino)ethyl]-1,2,3,9,10,10a-hexahydrospiro[benzo[b]cyclopenta[e][1,4]diazepine-10,1'-cyclopentane]

Chemical Property of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-methylphenyl)-

Chemical Property:

• Boiling Point: 566.6°Cat760mmHg
• Flash Point: 296.5°C
• Density: 1.17g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 373.251798002
• Heavy Atom Count: 28
• Complexity: 564

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NCCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5

Technology Process of Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-methylphenyl)-

There total 2 articles about Spiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9H),1'-cyclopentane)-9-ethanamine, 1,2,3,10a-tetrahydro-N-(3-methylphenyl)- 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: 60.0%

9-(2-bromoethyl)-2,3,9,10a-tetrahydrospiro(benzocyclopenta<1.4>diazepine-10(1H),1'-cyclopentane) (93464-37-0) + 1-amino-3-methylbenzene (108-44-1) → C25H31N3 (133307-91-2)

Guidance literature:

With triethylamine; In ethanol; for 3h; Heating;

Reference yield:

2,3-cyclopentano-3,4-dihydro-5H-4-spirocyclopentano-1,5-benzodiazepine (41526-78-7) → C25H31N3 (133307-91-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) NaOEt / 1) EtOH, RT, 30 min, 2) 80 deg C, 2h

2: 60 percent / NEt₃ / ethanol / 3 h / Heating

With sodium ethanolate; triethylamine; In ethanol;

upstream raw materials:

9-(2-bromoethyl)-2,3,9,10a-tetrahydrospiro(benzocyclopenta<1.4>diazepine-10(1H),1'-cyclopentane)

1-amino-3-methylbenzene

2,3-cyclopentano-3,4-dihydro-5H-4-spirocyclopentano-1,5-benzodiazepine

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