6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole

Base Information

• Chemical Name: 6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
• CAS No.: 6731-86-8
• Molecular Formula: C₁₃H₁₇N
• Molecular Weight: 187.285
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID501338932
• Mol file: 6731-86-8.mol

Synonyms:6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole;6731-86-8;Oprea1_417581;3-methyl-5,6,7,8,8a,9-hexahydro-4bH-carbazole;DTXSID501338932;STK835211;AKOS000303075;AKOS022531305;CS-0331404;A19048;6-methyl-2,3,4,9-tetrahydro-1H-carbazole, AldrichCPR

Chemical Property of 6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole

Chemical Property:

• PSA: 12.03000
• Density: 1.21g/cm³
• LogP: 3.58470
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC3C2CCCC3

Technology Process of 6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole

There total 3 articles about 6-Methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole 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: 94.0%

6-methyl-2,3,4,9-tetrahydro-1H-carbazole (17177-17-2) → 6-Methyl-cis-hexahydrocarbazol (6731-86-8,25374-51-0)

Guidance literature:

With (RuOTf((R,R)-N-Me-Tsdpen)(p-cymene)); hydrogen; at 25 ℃; for 24h; under 760.051 Torr; enantioselective reaction; Inert atmosphere; Glovebox; Autoclave;

DOI:10.1002/anie.201607890

Reference yield:

6-methyl-2,3,4,9-tetrahydro-1H-carbazole (17177-17-2) → 6-methyl-1,2,3,4,4a,9a-hexahydro-carbazole (6731-86-8)

Guidance literature:

With sulfuric acid; Electrolysis;

Reference yield:

→ 6-Methyl-cis-hexahydrocarbazol (6731-86-8,25374-51-0)

Guidance literature:

aus 6-Methyl-tetrahydrocarbazol;

DOI:10.1039/j39700000001

upstream raw materials:

6-methyl-2,3,4,9-tetrahydro-1H-carbazole