3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile

Base Information

Chemical Name:3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile
CAS No.:468717-34-2
Molecular Formula:C₂₀H₁₈N₂O₃S
Molecular Weight:366.441
Hs Code.:
DSSTox Substance ID:DTXSID20469317
Nikkaji Number:J2.194.113A
Wikidata:Q82296983

Synonyms:468717-34-2;3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile;SCHEMBL6798227;DTXSID20469317

Suppliers and Price of 3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile

Chemical Property:

Melting Point:143.5-144.5 °C
Boiling Point:623.3±65.0 °C(Predicted)
Density:1.38±0.1 g/cm3(Predicted)
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:366.10381361
Heavy Atom Count:26
Complexity:671

Purity/Quality:

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)C4CC4CO
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)[C@H]4C[C@@H]4CO

Technology Process of 3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile

There total 10 articles about 3-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-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: 96.0%

: (1S,2S)-2-[5-cyano-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-cyclopropanecarboxylic acid (R)-(+)-α-methylbenzylamine salt

: 468717-34-2
3-((1S,2S)-2-hydroxymethylcyclopropyl)-1-(toluene-4-sulfonyl)-1H-indole-5-carbonitrile

Guidance literature:: (1S,2S)-2-[5-cyano-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-cyclopropanecarboxylic acid (R)-(+)-α-methylbenzylamine salt; With sulfuric acid; In tetrahydrofuran; tert-butyl methyl ether; water; at 20 - 25 ℃; for 16h; Inert atmosphere; Large scale;

With borane-THF; In tetrahydrofuran; at 10 - 22 ℃; Inert atmosphere; Large scale;
DOI:10.1021/op700125z