2-(1H-Indol-4-yl)acetonitrile

Base Information

Chemical Name:2-(1H-Indol-4-yl)acetonitrile
CAS No.:30933-66-5
Molecular Formula:C₁₀H₈N₂
Molecular Weight:156.187
Hs Code.:2933990090
European Community (EC) Number:810-553-7
DSSTox Substance ID:DTXSID50510841
Wikidata:Q82369367
Mol file:30933-66-5.mol

Synonyms:2-(1H-Indol-4-yl)acetonitrile;30933-66-5;1H-Indole-4-acetonitrile;Indole-4-acetonitrile;(1H-Indol-4-yl)acetonitrile;SCHEMBL10547184;DTXSID50510841;1H-INDOL-4-YLACETONITRILE;MFCD09263861;AKOS004122075;AM86104;CS-0269018;FT-0746767;EN300-170924;A876065;J-504706

Suppliers and Price of 2-(1H-Indol-4-yl)acetonitrile

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
1H-Indole-4-acetonitrile
25mg
$ 350.00

SynQuest Laboratories
1H-Indole-4-acetonitrile 98%
250 mg
$ 720.00

Crysdot
2-(1H-Indol-4-yl)acetonitrile 97%
1g
$ 1250.00

Chemenu
2-(1H-Indol-4-yl)acetonitrile 95%+
1g
$ 1169.00

Apolloscientific
1H-indol-4-ylacetonitrile
250mg
$ 653.00

American Custom Chemicals Corporation
1H-INDOLE-4-ACETONITRILE 95.00%
5MG
$ 500.50

Alichem
2-(1H-Indol-4-yl)acetonitrile
5g
$ 1310.00

Alichem
2-(1H-Indol-4-yl)acetonitrile
1g
$ 1300.00

Total 18 raw suppliers

Chemical Property of 2-(1H-Indol-4-yl)acetonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:115 °C
Refractive Index:1.673
Boiling Point:374.108°C at 760 mmHg
PKA:16.52±0.30(Predicted)
Flash Point:127.557°C
PSA：39.58000
Density:1.219g/cm³
LogP:2.23398
Storage Temp.:2-8°C
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:156.068748264
Heavy Atom Count:12
Complexity:203

Purity/Quality:

97% ^*data from raw suppliers

1H-Indole-4-acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C2C=CNC2=C1)CC#N

Technology Process of 2-(1H-Indol-4-yl)acetonitrile

There total 7 articles about 2-(1H-Indol-4-yl)acetonitrile 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: 68.7%

: 92573-23-4
4-(cyanomethylidene)-4,5,6,7-tetrahydroindole

: 30933-66-5
4-(cyanomethyl)indole

Guidance literature:: palladium on activated charcoal; In various solvent(s); at 200 ℃; for 3h;
DOI:10.3987/R-1986-09-2611

Reference yield:

: 1074-85-7
(1H-indol-4-yl)methanol

: 30933-66-5
4-(cyanomethyl)indole

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 2 h / Ambient temperature

2: hexamethylphosphoric acid triamide / 24 h / 180 - 185 °C

With triethylamine; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide;

Reference yield:

: 39830-66-5
methyl 1H-indole-4-carboxylate

: 30933-66-5
4-(cyanomethyl)indole

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / sodium bis(2-methoxyethoxy) aluminum hydride / diethyl ether; benzene / 12 h / Ambient temperature

2: triethylamine / tetrahydrofuran / 2 h / Ambient temperature

3: hexamethylphosphoric acid triamide / 24 h / 180 - 185 °C

With triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; benzene;