Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate

Base Information

Chemical Name:Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate
CAS No.:90481-80-4
Molecular Formula:C19H16 Br N O4 S
Molecular Weight:434.30364
Hs Code.:
DSSTox Substance ID:DTXSID20698382
Mol file:90481-80-4.mol

Synonyms:90481-80-4;DTXSID20698382;Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate

Suppliers and Price of Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate

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

American Custom Chemicals Corporation
4-BROMO-3-(2-METHOXYCARBONYLETHENYL)-1-(4-METHYLPHENYLSULFONYL)INDOLE 95.00%
5MG
$ 495.35

Total 0 raw suppliers

Chemical Property of Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate

Chemical Property:

Vapor Pressure:3.45E-14mmHg at 25°C
Refractive Index:1.625
Boiling Point:596.4°C at 760 mmHg
Flash Point:314.5°C
PSA：73.75000
Density:1.45g/cm³
LogP:5.21620
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:432.99834
Heavy Atom Count:26
Complexity:636

Purity/Quality:: 4-BROMO-3-(2-METHOXYCARBONYLETHENYL)-1-(4-METHYLPHENYLSULFONYL)INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)C=CC(=O)OC

Technology Process of Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate

There total 3 articles about Methyl 3-[4-bromo-1-(4-methylbenzene-1-sulfonyl)-1H-indol-3-yl]prop-2-enoate 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: 80.7%

: 90481-83-7
4-bromo-3-iodo-1-tosyl-1H-indole

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 90481-80-4
4-bromo-3-(2-carbomethoxyethen-1-yl)-1-tosylindole

Guidance literature:: With palladium diacetate; triethylamine; at 100 ℃; for 1h; sealed tube;

Reference yield: 70.3%

: 90481-79-1
4-bromo-3-(chloromercurio)-1-tosylindole

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 90481-80-4
4-bromo-3-(2-carbomethoxyethen-1-yl)-1-tosylindole

Guidance literature:: With palladium diacetate; In acetonitrile; 0 deg C, 0.5 h, then room temp., 12 h;

Reference yield:

: 90481-79-1
4-bromo-3-(chloromercurio)-1-tosylindole

: 90481-80-4
4-bromo-3-(2-carbomethoxyethen-1-yl)-1-tosylindole

Guidance literature:: Multi-step reaction with 2 steps

1: 89.7 percent / iodine / CHCl₃ / 5 h / Ambient temperature

2: 80.7 percent / Et₃N, Pd(OAc)2 / 1 h / 100 °C / sealed tube

With palladium diacetate; iodine; triethylamine; In chloroform;