3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic acid

Base Information

Chemical Name:3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic acid
CAS No.:159054-14-5
Molecular Formula:C₁₄H₁₁Cl₂NO₄
Molecular Weight:328.152
Hs Code.:
DSSTox Substance ID:DTXSID70694793
Mol file:159054-14-5.mol

Synonyms:DTXSID70694793;AB18924;3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic acid

Suppliers and Price of 3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic 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

J&W Pharmlab
Ethyl3-(2-carboxy-vinyl)-4,6-dichloro-1H-indole-2-carboxylate 97%
1g
$ 1698.00

J&W Pharmlab
Ethyl3-(2-carboxy-vinyl)-4,6-dichloro-1H-indole-2-carboxylate 97%
500mg
$ 899.00

Crysdot
3-(4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl)acrylicacid 95+%
1g
$ 1950.00

Chemenu
Ethyl3-(2-carboxy-vinyl)-4,6-dichloro-1H-indole-2-carboxylate 95%
1g
$ 830.00

Alichem
3-(4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl)acrylicacid
1g
$ 706.86

Total 12 raw suppliers

Chemical Property of 3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic acid

Chemical Property:

PSA：79.39000
Density:1.520
LogP:3.74920
Storage Temp.:2-8°C(protect from light)
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:327.0065132
Heavy Atom Count:21
Complexity:443

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(2-carboxy-vinyl)-4,6-dichloro-1H-indole-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C2=C(N1)C=C(C=C2Cl)Cl)C=CC(=O)O

Technology Process of 3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic acid

There total 5 articles about 3-[4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl]prop-2-enoic 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: 96.0%

: 159054-13-4
ethyl (E)-3-(3-(tert-butoxy)-3-oxoprop-1-en-1-yl)-4,6-dichloro-1H-indole-2-carboxylate

: 159054-14-5
(E)-3-(2-carboxyethenyl)-4,6-dichloroindole-2-carboxylic acid ethyl ester

Guidance literature:: With formic acid; at 23 ℃; for 2h;
DOI:10.1021/jm960644a

Reference yield:

: 153435-96-2
ethyl-3-formyl-4,6-dichloro-indole-2-carboxylate

: 159054-14-5
(E)-3-(2-carboxyethenyl)-4,6-dichloroindole-2-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / acetonitrile; dioxane / 7 h / 70 °C

2: 95 percent / HCOOH / 2 h / 23 °C

With formic acid; In 1,4-dioxane; acetonitrile;
DOI:10.1002/(SICI)1521-4184(19993)332:3<73::AID-ARDP73>3.0.CO;2-5

Reference yield:

: 53995-82-7
4,6-dichloro-indole-2-carboxylic acid,ethyl ester

: 159054-14-5
(E)-3-(2-carboxyethenyl)-4,6-dichloroindole-2-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) phosporous oxychloride / 1.) 23 deg C, 15 min, 2.) 1,2-dichloroethane, 80 deg C, 6 h

2: 75 percent / acetonitrile; dioxane / 7 h / 70 °C

3: 96 percent / HCOOH / 2 h / 23 °C

With formic acid; trichlorophosphate; In 1,4-dioxane; acetonitrile;
DOI:10.1021/jm960644a