3-formyl-1H-indole-5-carbonitrile

Base Information

Chemical Name:3-formyl-1H-indole-5-carbonitrile
CAS No.:17380-18-6
Molecular Formula:C10H5N2O
Molecular Weight:170.17
Hs Code.:2933990090
European Community (EC) Number:626-842-4
DSSTox Substance ID:DTXSID00169661
Wikidata:Q72458388
Mol file:17380-18-6.mol

Synonyms:17380-18-6;3-formyl-1H-indole-5-carbonitrile;5-Cyanoindole-3-carboxyaldehyde;5-Cyanoindole-3-carboxaldehyde;3-Formylindole-5-carbonitrile;5-Cyano-3-formyl indole;BRN 0389069;INDOLE-5-CARBONITRILE, 3-FORMYL-;3-Formyl-5-cyano-1H-indole;MFCD01719101;5-22-06-00313 (Beilstein Handbook Reference);1H-Indole-5-carbonitrile, 3-formyl-;1H-Indole-5-carbonitrile,3-formyl-;5-Cyanoindole-3-carbaldehyde;SCHEMBL2535253;DTXSID00169661;TETRAMETHYLAMMONIUMTRIBROMIDE;5-Cyano-1H-indole-3-carboxaldehyde;BBL029455;STK649226;AKOS005259085;CS-W019424;DS-0053;SB15258;NCGC00337484-01;LS-82440;SY056966;3-Formyl-1H-indole-5-carbonitrile, 97%;AM20060527;FT-0646953;C-8870;EN300-107720;AB01328762-02;A811570;Z1255373027

Suppliers and Price of 3-formyl-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
3-Formyl-1H-indole-5-carbonitrile
50mg
$ 60.00

TRC
3-Formyl-1H-indole-5-carbonitrile
10mg
$ 45.00

SynQuest Laboratories
5-Cyano-1H-indole-3-carboxaldehyde 98%
1 g
$ 26.00

SynQuest Laboratories
5-Cyano-1H-indole-3-carboxaldehyde 98%
5 g
$ 103.00

SynChem
5-Cyanoindole-3-carboxyaldehyde 95%
10 g
$ 175.00

SynChem
5-Cyanoindole-3-carboxyaldehyde 95%
1 g
$ 25.00

SynChem
5-Cyanoindole-3-carboxyaldehyde 95%
5 g
$ 95.00

Sigma-Aldrich
3-Formyl-1H-indole-5-carbonitrile 97%
1g
$ 54.50

Sigma-Aldrich
3-Formyl-1H-indole-5-carbonitrile 97%
5g
$ 259.00

Chemenu
5-Cyanoindole-3-carboxyaldehyde 95%+
100g
$ 636.00

Total 44 raw suppliers

Chemical Property of 3-formyl-1H-indole-5-carbonitrile

Chemical Property:

Appearance/Colour:white to off-white crystalline powder
Vapor Pressure:1.39E-07mmHg at 25°C
Melting Point:248-253 °C
Refractive Index:1.674
Boiling Point:429.565 °C at 760 mmHg
PKA:14.12±0.30(Predicted)
Flash Point:213.593 °C
PSA：56.65000
Density:1.337 g/cm³
LogP:1.85208
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.048012819
Heavy Atom Count:13
Complexity:255

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

Pictogram(s): Xi,Xn
Hazard Codes:Xi,Xn
Statements: 20/21/22-36/37/38-43
Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC2=C(C=C1C#N)C(=CN2)C=O
Uses ? ;Reactant for synthesis of tryptophan dioxygenase inhibitors as potential anticancer immunomodulators1? ;Reactant for enantioselective preparation of antifungal agents2? ;Reactant for synthesis of indole- and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-13? ;Reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agents4? ;Reactant for preparation of indolecarboxamide derivatives as antitumor agents5? ;Reactant for synthesis of a selective serotonin reuptake inhibitor6 Reactant for synthesis of tryptophan dioxygenase inhibitors as potential anticancer immunomodulatorsReactant for enantioselective preparation of antifungal agentsReactant for synthesis of indole- and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1Reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agentsReactant for preparation of indolecarboxamide derivatives as antitumor agentsReactant for synthesis of a selective serotonin reuptake inhibitor

Technology Process of 3-formyl-1H-indole-5-carbonitrile

There total 9 articles about 3-formyl-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: 97.0%

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

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 17380-18-6
3-formyl-1H-indole-5-carbonitrile

Guidance literature:: N,N-dimethyl-formamide; With trichlorophosphate; for 0.0833333h; Inert atmosphere; Cooling with ice;

1H-indole-5-carbonitrile; at 25 ℃; Inert atmosphere; Cooling with ice;

With potassium hydroxide; In water; at 25 ℃; Reflux;
DOI:10.1021/ol401784h