1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl-

Base Information

• Chemical Name: 1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl-
• CAS No.: 125080-92-4
• Molecular Formula: C₁₃H₁₈N₂
• Molecular Weight: 202.299
• DSSTox Substance ID: DTXSID40154632
• Wikidata: Q83021913
• Mol file: 125080-92-4.mol

Synonyms:BRN 4250867;1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl-;9-Methylamino-2,3,5,6,7,8-hexahydro-1H-cyclopenta(b)quinoline;2,3,5,6,7,8-Hexahydro-N-methyl-1H-cyclopenta(b)quinolin-9-amine;125080-92-4;DTXSID40154632;LS-58216

Chemical Property of 1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl-

Chemical Property:

• Vapor Pressure: 2.69E-05mmHg at 25°C
• Boiling Point: 357.6°Cat760mmHg
• Flash Point: 170.1°C
• Density: 1.136g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 229

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: CNC1=C2CCCC2=NC3=C1CCCC3

Technology Process of 1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl-

There total 2 articles about 1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-N-methyl- 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: 97.0%

9-chloro-2,3,5,6,7,8-hexahydro-1H-cycloheptaquinoline (125080-91-3) + methylamine (74-89-5) → 9-methylamino-2,3,5,6,7,8-hexahydro-1H-cycloheptaquinoline (125080-92-4)

Guidance literature:

In ethanol; water; at 210 ℃; for 18h;

DOI:10.1007/BF00764431

Reference yield:

1,2,3,4,5,6,7,8-octahydro-cyclopenta[b]quinolin-9-one (58596-34-2) → 9-methylamino-2,3,5,6,7,8-hexahydro-1H-cycloheptaquinoline (125080-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / Et₃N*HCl, POCl₃ / 0.67 h / 60 °C

2: 97 percent / H₂O; ethanol / 18 h / 210 °C

With triethylamine hydrochloride; trichlorophosphate; In ethanol; water;

DOI:10.1007/BF00764431

upstream raw materials:

9-chloro-2,3,5,6,7,8-hexahydro-1H-cycloheptaquinoline

methylamine

1,2,3,4,5,6,7,8-octahydro-cyclopenta[b]quinolin-9-one