3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile

Base Information

Chemical Name:3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile
CAS No.:148237-18-7
Molecular Formula:C₁₄H₁₅BrN₂
Molecular Weight:291.19
Hs Code.:
DSSTox Substance ID:DTXSID90433520
Nikkaji Number:J540.965I
Wikidata:Q82247685
Mol file:148237-18-7.mol

Synonyms:148237-18-7;3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile;3-(4-BROMOBUTYL)-2-CYANO-1-METHYLINDOLE;3-(4-BROMOBUTYL)-1-METHYLINDOLE-2-CARBONITRILE;DTXSID90433520;AKOS015965022;1-Methyl-3-(4-bromobutyl)-1H-indole-2-carbonitrile

Suppliers and Price of 3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile

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

American Custom Chemicals Corporation
3-(4-BROMOBUTYL)-2-CYANO-1-METHYLINDOLE 95.00%
5MG
$ 495.45

Total 2 raw suppliers

Chemical Property of 3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile

Chemical Property:

PSA：28.72000
LogP:3.76758
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:290.04186
Heavy Atom Count:17
Complexity:296

Purity/Quality:

95% ^*data from raw suppliers

3-(4-BROMOBUTYL)-2-CYANO-1-METHYLINDOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2C(=C1C#N)CCCCBr

Technology Process of 3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile

There total 2 articles about 3-(4-Bromobutyl)-1-methyl-1H-indole-2-carbonitrile 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: 81.0%

: 7-bromo-2-(N-methylanilino)-2-heptenenitrile

: 148237-18-7
3-(4-bromobutyl)-1-methylindole-2-carbonitrile

Guidance literature:: With oxygen; In cyclohexane; for 8h; Irradiation;
DOI:10.1021/jo00063a032

Reference yield:

: 57360-97-1
2-(N-methylanilino)but-2-enenitrile

: 148237-18-7
3-(4-bromobutyl)-1-methylindole-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1) LDA, HMPA / 1) THF

2: 81 percent / O₂ / cyclohexane / 8 h / Irradiation

With N,N,N,N,N,N-hexamethylphosphoric triamide; oxygen; lithium diisopropyl amide; In cyclohexane;
DOI:10.1021/jo00063a032