2-(1-methylcyclohexyl)-1H-indole

Base Information

Chemical Name:2-(1-methylcyclohexyl)-1H-indole
CAS No.:61495-03-2
Molecular Formula:C15H19N
Molecular Weight:213.31800
Hs Code.:
European Community (EC) Number:668-075-8
DSSTox Substance ID:DTXSID40401875
Mol file:61495-03-2.mol

Synonyms:2-(1-methylcyclohexyl)-1H-indole;61495-03-2;1H-Indole, 2-(1-methylcyclohexyl)-;SCHEMBL11825755;DTXSID40401875;AKOS024324362

Suppliers and Price of 2-(1-methylcyclohexyl)-1H-indole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 2-(1-methylcyclohexyl)-1H-indole

Chemical Property:

Melting Point:49-50 °C
Boiling Point:365.1±11.0 °C(Predicted)
PKA:17.38±0.30(Predicted)
PSA：15.79000
Density:1.058±0.06 g/cm3(Predicted)
LogP:4.38970
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:213.151749610
Heavy Atom Count:16
Complexity:242

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCCCC1)C2=CC3=CC=CC=C3N2

Technology Process of 2-(1-methylcyclohexyl)-1H-indole

There total 4 articles about 2-(1-methylcyclohexyl)-1H-indole 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: 76.0%

: 61495-05-4
N-(1-methylcyclohexylcarbonyl)-o-toluidine

: 61495-03-2
2-(1-methylcyclohexyl)-1H-indole

Guidance literature:: With n-butyllithium; In tetrahydrofuran; for 18h; Ambient temperature;
DOI:10.1021/jo00335a038

Reference yield:

: 95-53-4
o-toluidine

: 61495-03-2
2-(1-methylcyclohexyl)-1H-indole

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / potassium carbonate / toluene / 1) reflux, 3 h, 2) room temperature, 16 h

2: 76 percent / n-butyllithium / tetrahydrofuran / 18 h / Ambient temperature

With n-butyllithium; potassium carbonate; In tetrahydrofuran; toluene;
DOI:10.1021/jo00335a038

Reference yield:

: 2890-61-1
1-methyl-1-cyclohexancarboxylic acid chloride

: 61495-03-2
2-(1-methylcyclohexyl)-1H-indole

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / potassium carbonate / toluene / 1) reflux, 3 h, 2) room temperature, 16 h

2: 76 percent / n-butyllithium / tetrahydrofuran / 18 h / Ambient temperature

With n-butyllithium; potassium carbonate; In tetrahydrofuran; toluene;
DOI:10.1021/jo00335a038