Methyl 1-(benzenesulfonyl)indole-3-carboxylate

Base Information

Chemical Name:Methyl 1-(benzenesulfonyl)indole-3-carboxylate
CAS No.:116325-17-8
Molecular Formula:C16H13NO4S
Molecular Weight:315.35
Hs Code.:
DSSTox Substance ID:DTXSID40397002
Nikkaji Number:J701.999H
Wikidata:Q82198001
ChEMBL ID:CHEMBL1398647
Mol file:116325-17-8.mol

Synonyms:116325-17-8;Methyl 1-(benzenesulfonyl)indole-3-carboxylate;methyl 1-(phenylsulfonyl)-1H-indole-3-carboxylate;1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, methyl ester;Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate;MLS001165970;SCHEMBL2886421;CHEMBL1398647;DTXSID40397002;HMS2863I24;AKOS005106533;SMR000550237;9T-1484;Methyl1-(benzenesulfonyl)-1H-indole-3-carboxylate;1-(Phenylsulfonyl)-1H-indole-3-carboxylic acid methyl ester;1h-indole-3-carboxylic acid,1-(phenylsulfonyl)-,methyl ester

Suppliers and Price of Methyl 1-(benzenesulfonyl)indole-3-carboxylate

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

Labseeker
1H-INDOLE-3-CARBOXYLICACID,1-(PHENYLSULFONYL)-,METHYLESTER 95
5g
$ 1833.00

American Custom Chemicals Corporation
1H-INDOLE-3-CARBOXYLIC ACID, 1-(PHENYLSULFONYL)-,METHYL ESTER 95.00%
5MG
$ 623.82

American Custom Chemicals Corporation
1H-INDOLE-3-CARBOXYLIC ACID, 1-(PHENYLSULFONYL)-,METHYL ESTER 95.00%
10MG
$ 618.50

American Custom Chemicals Corporation
1H-INDOLE-3-CARBOXYLIC ACID, 1-(PHENYLSULFONYL)-,METHYL ESTER 95.00%
1MG
$ 586.97

Total 3 raw suppliers

Chemical Property of Methyl 1-(benzenesulfonyl)indole-3-carboxylate

Chemical Property:

Melting Point:135-137 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
Boiling Point:509.2±42.0 °C(Predicted)
PSA：73.75000
Density:1.32±0.1 g/cm3(Predicted)
LogP:3.74570
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:315.05652907
Heavy Atom Count:22
Complexity:507

Purity/Quality:

99.90% ^*data from raw suppliers

1H-INDOLE-3-CARBOXYLICACID,1-(PHENYLSULFONYL)-,METHYLESTER 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

Technology Process of Methyl 1-(benzenesulfonyl)indole-3-carboxylate

There total 7 articles about Methyl 1-(benzenesulfonyl)indole-3-carboxylate 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: 92.0%

: 942-24-5
3-methoxycarbonylindole

: 98-09-9
benzenesulfonyl chloride

: 116325-17-8
N-benzenesulfonyl-1H-indole-3-carboxylic acid methyl ester

Guidance literature:: With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; water; at 0 - 20 ℃; for 4.66667h;

Reference yield: 85.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 124-38-9,18923-20-1
carbon dioxide

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

: 116325-17-8
N-benzenesulfonyl-1H-indole-3-carboxylic acid methyl ester

Guidance literature:: With ethylmagnesium bromide; In tetrahydrofuran; 1.) 0 deg C, 30 min, r.t., 30 min; 2.) r.t., overnight;
DOI:10.3987/com-95-s31