5-Benzyl-1H-indole

Base Information

Chemical Name:5-Benzyl-1H-indole
CAS No.:23543-62-6
Molecular Formula:C15H13N
Molecular Weight:207.27
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60498883
Nikkaji Number:J88.173B
Wikidata:Q82349223
Mol file:23543-62-6.mol

Synonyms:5-Benzyl-1H-indole;23543-62-6;5-benzylindole;SCHEMBL8604113;DTXSID60498883;RZGCPIPFXSMATQ-UHFFFAOYSA-N

Suppliers and Price of 5-Benzyl-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

American Custom Chemicals Corporation
5-BENZYL-1H-INDOLE 95.00%
5MG
$ 505.90

Total 3 raw suppliers

Chemical Property of 5-Benzyl-1H-indole

Chemical Property:

Boiling Point:382.2±11.0 °C(Predicted)
PKA:17.20±0.30(Predicted)
PSA：15.79000
Density:1.143±0.06 g/cm3(Predicted)
LogP:3.75870
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:207.104799419
Heavy Atom Count:16
Complexity:220

Purity/Quality:

99% ^*data from raw suppliers

5-BENZYL-1H-INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=CC3=C(C=C2)NC=C3

Technology Process of 5-Benzyl-1H-indole

There total 12 articles about 5-Benzyl-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: 99.0%

: 100-44-7
benzyl chloride

: 144104-59-6
1H-indole-5-boronic acid

: 23543-62-6
5-benzyl-1H-indole

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-dimethyl-3-(2-phenoxyphenyl)-1-(2,4,6-trimethylbenzyl)imidazolium chloride; water; caesium carbonate; In 1,4-dioxane; at 90 ℃; for 15h; Inert atmosphere;
DOI:10.1021/jo5009178

Reference yield: 79.0%

: 10075-50-0
5-bromo-1H-indole

: 620-05-3
iodomethylbenzene

: 23543-62-6
5-benzyl-1H-indole

Guidance literature:: With bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); zinc; In N,N-dimethyl-formamide; at 37 ℃; Reagent/catalyst; Solvent; Inert atmosphere;
DOI:10.1002/chem.202103353

Reference yield: 60.0%

: 1006-94-6
5-methoxylindole

: 1589-82-8
phenylmagnesium bromide

: 23543-62-6
5-benzyl-1H-indole

Guidance literature:: With nickel diacetate; 1,3-dicyclohexyl-1H-imidazol-3-ium chloride; In tetrahydrofuran; toluene; at 100 ℃; for 18h; Inert atmosphere; Sealed tube;
DOI:10.1021/acs.orglett.5b02200