1H-Indole, 2-(1-cyclohexen-1-yl)-

Base Information

• Chemical Name: 1H-Indole, 2-(1-cyclohexen-1-yl)-
• CAS No.: 78329-40-5
• Molecular Formula: C14H15N
• Molecular Weight: 197.28
• DSSTox Substance ID: DTXSID90475763
• Nikkaji Number: J1.338.853I
• Wikidata: Q82306534
• Mol file: 78329-40-5.mol

Synonyms:1H-Indole, 2-(1-cyclohexen-1-yl)-;78329-40-5;SCHEMBL1174412;DTXSID90475763

Chemical Property of 1H-Indole, 2-(1-cyclohexen-1-yl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC1)C2=CC3=CC=CC=C3N2

Technology Process of 1H-Indole, 2-(1-cyclohexen-1-yl)-

There total 21 articles about 1H-Indole, 2-(1-cyclohexen-1-yl)- 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%

1-[2-(1-cyclohexen-1-yl)ethynyl]-2-nitrobenzene (1028287-02-6) → 2-(cyclohex-1-en-1-yl)-1H-indole (78329-40-5)

Guidance literature:

With 5% Au/Fe2O3; hydrogen; In toluene; at 60 - 120 ℃; for 2h; under 750.075 - 15001.5 Torr; chemoselective reaction; Autoclave;

DOI:10.1021/ol902061j

Reference yield: 91.0%

2-(cyclohex-1-en-1-ylethynyl)aniline (288254-64-8) → 2-(cyclohex-1-en-1-yl)-1H-indole (78329-40-5)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl acetamide; at 170 ℃; for 0.116667h; Microwave irradiation;

DOI:10.1055/s-0028-1083624

Reference yield: 85.0%

2-(cyclohex-1-en-1-yl)-1-(pyrimidin-2-yl)-1H-indole → 2-(cyclohex-1-en-1-yl)-1H-indole (78329-40-5)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; for 24h;

DOI:10.1002/anie.201412319

upstream raw materials:

N-(Benzenesulfonyl)-2-(1-hydroxycyclohexyl)indole

2-(cyclohex-1-en-1-ylethynyl)aniline

1-ethenylcyclohexene

o-iodoacetanilide

Downstream raw materials:

11H-indolo[3,2-c]quinoline

2-cyclohexenyl-1H-indole-3-carbonitrile

2-(1-Cyclohexenyl)-3-formylindole