3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carbaldehyde

Base Information

Chemical Name:3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carbaldehyde
CAS No.:176327-46-1
Molecular Formula:C₁₅H₁₀INO₃S
Molecular Weight:411.22
Hs Code.:
DSSTox Substance ID:DTXSID601218389
Nikkaji Number:J1.689.460E

Synonyms:DTXSID601218389;176327-46-1;3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carbaldehyde;3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carboxaldehyde

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Supply Marketing:

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

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Chemical Property of 3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carbaldehyde

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:410.94261
Heavy Atom Count:21
Complexity:484

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C=O)I

Technology Process of 3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carbaldehyde

There total 3 articles about 3-Iodo-1-(phenylsulfonyl)-1H-indole-2-carbaldehyde 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: 83.0%

: 98-09-9
benzenesulfonyl chloride

: 176327-44-9
3-iodo-1H-indole-2-carboxaldehyde

: 176327-46-1
N-(benzenesulfonyl)-3-iodoindole-2-carboxaldehyde

Guidance literature:: With sodium hydride;
DOI:10.1016/0040-4039(96)00378-4

Reference yield: 65.0%

: 80360-14-1
3-iodo-1-phenylsulfonyl-1H-indole

: 109-94-4
formic acid ethyl ester

: 176327-46-1
N-(benzenesulfonyl)-3-iodoindole-2-carboxaldehyde

Guidance literature:: 3-iodo-1-phenylsulfonyl-1H-indole; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at -60 - 20 ℃; for 1.5h;

formic acid ethyl ester; In tetrahydrofuran; n-heptane; ethylbenzene; at -60 - -30 ℃; for 1h;
DOI:10.1055/s-2001-18715

Reference yield:

: 19005-93-7
1H-indol-2-ylcarboxaldehyde

: 176327-46-1
N-(benzenesulfonyl)-3-iodoindole-2-carboxaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / I₂, KOH / dimethylformamide / 4 h / Ambient temperature

2: 83 percent / NaH / dimethylformamide / 2 h / 0 °C

With potassium hydroxide; iodine; sodium hydride; In N,N-dimethyl-formamide;
DOI:10.1021/jo962038t