1-Benzyl-1H-indole-5-carbonitrile

Base Information

Chemical Name:1-Benzyl-1H-indole-5-carbonitrile
CAS No.:80531-13-1
Molecular Formula:C16H12N2
Molecular Weight:232.285
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10583016
Nikkaji Number:J1.649.595F
Wikidata:Q82474527
Mol file:80531-13-1.mol

Synonyms:1-BENZYL-1H-INDOLE-5-CARBONITRILE;80531-13-1;1-benzylindole-5-carbonitrile;SCHEMBL1247611;DTXSID10583016;XZCSETGZSGBGCI-UHFFFAOYSA-N;MFCD15200964;AKOS005174368;LS-04439;CS-0317156

Suppliers and Price of 1-Benzyl-1H-indole-5-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

TRC
1-Benzyl-1H-indole-5-carbonitrile
50mg
$ 45.00

Sigma-Aldrich
1-Benzyl-1H-indole-5-carbonitrile
1g
$ 140.00

Crysdot
1-Benzyl-1H-indole-5-carbonitrile 97%
25g
$ 703.00

Crysdot
1-Benzyl-1H-indole-5-carbonitrile 97%
10g
$ 361.00

Chemenu
1-Benzyl-1H-indole-5-carbonitrile 95%+
10g
$ 341.00

Chemenu
1-Benzyl-1H-indole-5-carbonitrile 95%+
25g
$ 664.00

ChemBridge Corporation
1-benzyl-1H-indole-5-carbonitrile 95%
10 g
$ 224.00

ChemBridge Corporation
1-benzyl-1H-indole-5-carbonitrile 95%
5 g
$ 133.00

Biosynth Carbosynth
1-Benzyl-1H-indole-5-carbonitrile
250 mg
$ 115.00

Biosynth Carbosynth
1-Benzyl-1H-indole-5-carbonitrile
100 mg
$ 58.00

Total 11 raw suppliers

Chemical Property of 1-Benzyl-1H-indole-5-carbonitrile

Chemical Property:

Boiling Point:447.1±28.0 °C(Predicted)
PSA：28.72000
Density:1.09±0.1 g/cm3(Predicted)
LogP:3.56128
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:232.100048391
Heavy Atom Count:18
Complexity:323

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-1H-indole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C#N

Technology Process of 1-Benzyl-1H-indole-5-carbonitrile

There total 9 articles about 1-Benzyl-1H-indole-5-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: 97.3%

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 80531-13-1
1-benzyl-1H-indole-5-carbonitrile

Guidance literature:: With sodium hydride; potassium iodide; In mineral oil; at 0 - 80 ℃;
DOI:10.1016/j.ejmech.2020.112077

Reference yield: 82.0%

: 10075-51-1
1-benzyl-5-bromo-1H-indole

: 86164-70-7
2-methyl-2-phenylmalononitrile

: 80531-13-1
1-benzyl-1H-indole-5-carbonitrile

Guidance literature:: With C₁₀H₈Br₂N₂Ni*(x)H₂O; zinc; In N,N-dimethyl acetamide; at 80 ℃; for 16h; Inert atmosphere; Sealed tube;
DOI:10.1021/jacs.9b11208