4-(1H-indol-5-yl)benzonitrile

Base Information

Chemical Name:4-(1H-indol-5-yl)benzonitrile
CAS No.:694533-08-9
Molecular Formula:C15H10N2
Molecular Weight:218.25
Hs Code.:
DSSTox Substance ID:DTXSID50399739
Nikkaji Number:J2.191.805I
Wikidata:Q82202447
Mol file:694533-08-9.mol

Synonyms:4-(1H-indol-5-yl)benzonitrile;694533-08-9;4-(1H-Indol-5-yl)-benzonitrile;4-(1H-lndol-5-yl)-benzonitrile;5-(4-cyano-phenyl)-indole;4(1H-indol-5-yl)benzonitrile;SCHEMBL5485659;5-(4-Cyanophenyl)-1H-indole;DTXSID50399739;POHRJJCEWJUVEY-UHFFFAOYSA-N;AKOS004113903;BB 0222775

Suppliers and Price of 4-(1H-indol-5-yl)benzonitrile

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

SynChem
4-(1H-Indol-5-yl)-benzonitrile 95%
5 g
$ 1350.00

SynChem
4-(1H-Indol-5-yl)-benzonitrile 95%
1 g
$ 350.00

Total 2 raw suppliers

Chemical Property of 4-(1H-indol-5-yl)benzonitrile

Chemical Property:

PSA：39.58000
LogP:3.70658
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:218.084398327
Heavy Atom Count:17
Complexity:308

Purity/Quality:

98% ^*data from raw suppliers

4-(1H-Indol-5-yl)-benzonitrile 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C2=CC3=C(C=C2)NC=C3

Technology Process of 4-(1H-indol-5-yl)benzonitrile

There total 8 articles about 4-(1H-indol-5-yl)benzonitrile 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: 98.0%

: 623-03-0
4-Cyanochlorobenzene

: 5-(trifluoro-λ4-boraneyl)-1H-indole potassium salt

: 694533-08-9
4-(1H-indol-5-yl)-benzonitrile

Guidance literature:: With palladium diacetate; sodium carbonate; ruphos; In ethanol; at 85 ℃; for 6h; Inert atmosphere;
DOI:10.1021/jo802590b

Reference yield: 98.0%

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

: 126747-14-6
4-cyanophenylboronic acid

: 694533-08-9
4-(1H-indol-5-yl)-benzonitrile

Guidance literature:: With C₁₇H₁₄Cl₂N₂Pd; potassium carbonate; In water; at 70 ℃; for 12h; Schlenk technique; Inert atmosphere; Green chemistry;
DOI:10.1002/aoc.6474

Reference yield: 95.0%

: 138373-10-1
4-cyanophenyl mesylate

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

: 694533-08-9
4-(1H-indol-5-yl)-benzonitrile

Guidance literature:: With potassium phosphate; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; palladium diacetate; In tert-Amyl alcohol; at 20 - 110 ℃; Inert atmosphere;
DOI:10.1021/ol9015892