1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid

Base Information

Chemical Name:1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid
CAS No.:888504-80-1
Molecular Formula:C₁₇H₁₅NO₅S
Molecular Weight:345.376
Hs Code.:
DSSTox Substance ID:DTXSID501214122
Nikkaji Number:J2.310.618C

Synonyms:DTXSID501214122;888504-80-1;1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid

Suppliers and Price of 1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid

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 1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:345.06709375
Heavy Atom Count:24
Complexity:550

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(=O)O

Technology Process of 1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid

There total 1 articles about 1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-acetic acid 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: 93.0%

: 87-51-4
indole-3-acetic acid

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

: 888504-80-1
1-[(4-methoxyphenyl)sulfonyl]-1H-3-indole-3-acetic acid

Guidance literature:: indole-3-acetic acid; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

4-methoxy-phenyl-sulphonyl chloride; In tetrahydrofuran; hexane; at 23 ℃; for 16h;
DOI:10.1002/hlca.200690058

Reference yield: 82.0%

: 108-24-7
acetic anhydride

: 888504-80-1
1-[(4-methoxyphenyl)sulfonyl]-1H-3-indole-3-acetic acid

: (1S,6S,7S,1'R)-6-(benzyloxy)-7-(1'-hydroxyethyl)-2-azabicyclo[2.2.2]octane

: 888504-81-2
(αR,1S,6S,7S)-7-(benzyloxy)-2-{{1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}acetyl}-2-azabicyclo[2.2.2]octane-6-methanol acetate

Guidance literature:: 1-[(4-methoxyphenyl)sulfonyl]-1H-3-indole-3-acetic acid; (1S,6S,7S,1'R)-6-(benzyloxy)-7-(1'-hydroxyethyl)-2-azabicyclo[2.2.2]octane; With dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 23 ℃; for 4h;

With potassium hydroxide; In methanol; at 23 ℃; for 2h;

acetic anhydride; With pyridine; dmap; In dichloromethane; at 23 ℃; for 16h;
DOI:10.1002/hlca.200690058