3-Formyl-1-tosyl-1h-indole-5-carbonitrile

Base Information

Chemical Name:3-Formyl-1-tosyl-1h-indole-5-carbonitrile
CAS No.:468717-73-9
Molecular Formula:C17H12N2O3S
Molecular Weight:324.36
Hs Code.:
DSSTox Substance ID:DTXSID00457752
Wikidata:Q82280729
Mol file:468717-73-9.mol

Synonyms:3-formyl-1-tosyl-1h-indole-5-carbonitrile;468717-73-9;3-formyl-1-(4-methylphenyl)sulfonylindole-5-carbonitrile;3-formyl-1-(toluene-4-sulfonyl)-1H-indole-5-carbonitrile;3-formyl-1-(4-methylbenzenesulfonyl)-1H-indole-5-carbonitrile;SCHEMBL2137816;DTXSID00457752;BFYKSJLAZUDDKP-UHFFFAOYSA-N;AS-65211;W14701;3-formyl-1-(p-tolylsulfonyl)indole-5-carbonitrile

Suppliers and Price of 3-Formyl-1-tosyl-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

Total 2 raw suppliers

Chemical Property of 3-Formyl-1-tosyl-1h-indole-5-carbonitrile

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:324.05686342
Heavy Atom Count:23
Complexity:595

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C=O

Technology Process of 3-Formyl-1-tosyl-1h-indole-5-carbonitrile

There total 3 articles about 3-Formyl-1-tosyl-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: 98.5%

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

: 98-59-9
p-toluenesulfonyl chloride

: 468717-73-9
3-formyl-1-(toluene-4-sulfonyl)-1H-indole-5-carbonitrile

Guidance literature:: 3-formyl-1H-indole-5-carbonitrile; p-toluenesulfonyl chloride; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 - 25 ℃; for 0.35h; Inert atmosphere; Large scale;

With water; for 1h; Inert atmosphere; Large scale;
DOI:10.1021/op700125z

Reference yield:

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

: 468717-73-9
3-formyl-1-(toluene-4-sulfonyl)-1H-indole-5-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: POCl₃ / 0.5 h / 10 - 20 °C

1.2: 75 percent / dimethylformamide / 2 h / 20 °C

2.1: 65 percent / triethylamine / CH₂Cl₂ / 24 h / 20 °C

With triethylamine; trichlorophosphate; In dichloromethane; 1.2: Vilsmeier-Haack formylation;
DOI:10.1021/jm0503291

Reference yield:

: C₁₂H₁₂N₃⁽¹⁺⁾*Cl^(1-)

: 468717-73-9
3-formyl-1-(toluene-4-sulfonyl)-1H-indole-5-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: water / 1 h / 25 - 70 °C / Inert atmosphere; Large scale

2.1: N-ethyl-N,N-diisopropylamine / acetonitrile / 0.35 h / 20 - 25 °C / Inert atmosphere; Large scale

2.2: 1 h / Inert atmosphere; Large scale

With water; N-ethyl-N,N-diisopropylamine; In acetonitrile;
DOI:10.1021/op700125z