Pyrido(3',4':4,5)pyrrolo(2,3-g)-1,5-benzodiazepine, 3,8,9,10,11,12-hexahydro-2,4,9-trimethyl-

Base Information

• Chemical Name: Pyrido(3',4':4,5)pyrrolo(2,3-g)-1,5-benzodiazepine, 3,8,9,10,11,12-hexahydro-2,4,9-trimethyl-
• CAS No.: 107369-99-3
• Molecular Formula: C₁₇H₂₀N₄
• Molecular Weight: 280.373
• DSSTox Substance ID: DTXSID40148031
• Mol file: 107369-99-3.mol

Synonyms:BRN 5576002;Pyrido(3',4':4,5)pyrrolo(2,3-g)-1,5-benzodiazepine, 3,8,9,10,11,12-hexahydro-2,4,9-trimethyl-;107369-99-3;2,4,9-Trimethyl-8,9,10,11-tetrahydro-3H-pyrido-(4,3-b)(1,4)diazepine(2,3-g)indole;4,6,14-trimethyl-3,7,14,18-tetrazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),2(8),3,6,9,12(17)-hexaene;DTXSID40148031;OBGCEHRBOHPYDW-UHFFFAOYSA-N;LS-134211

Chemical Property of Pyrido(3',4':4,5)pyrrolo(2,3-g)-1,5-benzodiazepine, 3,8,9,10,11,12-hexahydro-2,4,9-trimethyl-

Chemical Property:

• Vapor Pressure: 1.16E-08mmHg at 25°C
• Boiling Point: 460.4°Cat760mmHg
• Flash Point: 232.3°C
• PSA: 43.75000
• Density: 1.3g/cm³
• LogP: 2.55340
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 280.16879665
• Heavy Atom Count: 21
• Complexity: 483

Purity/Quality:

2,4,9-TRIMETHYL-8,9,10,11-TETRAHYDRO-3H-PYRIDO-(4,3-B)(1,4)DIAZEPINE(2,3-G)INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C3=C(C=C2)C4=C(N3)CCN(C4)C)N=C(C1)C

Technology Process of Pyrido(3',4':4,5)pyrrolo(2,3-g)-1,5-benzodiazepine, 3,8,9,10,11,12-hexahydro-2,4,9-trimethyl-

There total 2 articles about Pyrido(3',4':4,5)pyrrolo(2,3-g)-1,5-benzodiazepine, 3,8,9,10,11,12-hexahydro-2,4,9-trimethyl- 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:

7-Methyl-6,7,8,9-tetrahydro-<4,3-c><1,2,5>-thiadiazolo<3,4-g>indole (96450-38-3) → 2,4,9-Trimethyl-8,9,10,11-tetrahydro-3H-pyrido-<4,3-b><1,4>diazepine<2,3-g>indole (107369-99-3)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc powder, conc. HCl / ethanol / 0.25 h / Heating

2: aq. ethanol / 0.5 h

With hydrogenchloride; zinc; In ethanol;

DOI:10.1007/BF00757965

Reference yield:

2-Methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-6,7-diamine + acetylacetone (123-54-6,81235-32-7) → 2,4,9-Trimethyl-8,9,10,11-tetrahydro-3H-pyrido-<4,3-b><1,4>diazepine<2,3-g>indole (107369-99-3)

Guidance literature:

In ethanol; for 0.5h; Yield given;

DOI:10.1007/BF00757965

upstream raw materials:

acetylacetone

7-Methyl-6,7,8,9-tetrahydro-<4,3-c><1,2,5>-thiadiazolo<3,4-g>indole