4,6-dichloro-1H-indole-2-carboxylic acid

Base Information

Chemical Name:4,6-dichloro-1H-indole-2-carboxylic acid
CAS No.:101861-63-6
Molecular Formula:C9H5Cl2NO2
Molecular Weight:230.05
Hs Code.:2933990090
European Community (EC) Number:675-892-3
DSSTox Substance ID:DTXSID80144299
Pharos Ligand ID:3SXHJHMCMJYU
ChEMBL ID:CHEMBL301556
Mol file:101861-63-6.mol

Synonyms:2-carboxy-4,6-dichloro-(1H)-indole-3-propanoic acid;3-(4,6-dichloro-2-carboxyindol-3-yl)propionic acid;3-DCCIP;MDL 29951;MDL-29951;MDL29,951

Suppliers and Price of 4,6-dichloro-1H-indole-2-carboxylic 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

TRC
4,6-Dichloro-1h-indole-2-carboxylicacid
1g
$ 115.00

TRC
4,6-Dichloro-1h-indole-2-carboxylicacid
100mg
$ 45.00

Matrix Scientific
4,6-Dichloroindole-2-carboxylic acid 95+%
250mg
$ 288.00

Matrix Scientific
4,6-Dichloroindole-2-carboxylic acid 95+%
1g
$ 639.00

J&W Pharmlab
4,6-Dichloro-1H-indole-2-carboxylicacid 96%
25g
$ 1800.00

J&W Pharmlab
4,6-Dichloro-1H-indole-2-carboxylicacid 96%
5g
$ 450.00

Crysdot
4,6-Dichloroindole-2-carboxylicacid 97%
5g
$ 262.00

Crysdot
4,6-Dichloroindole-2-carboxylicacid 97%
10g
$ 456.00

Crysdot
4,6-Dichloroindole-2-carboxylicacid 97%
25g
$ 893.00

Chemenu
4,6-Dichloroindole-2-carboxylicacid 95%+
25g
$ 935.00

Total 55 raw suppliers

Chemical Property of 4,6-dichloro-1H-indole-2-carboxylic acid

Chemical Property:

Vapor Pressure:6.64E-10mmHg at 25°C
Melting Point:47 °C
Refractive Index:1.73
Boiling Point:476.9 °C at 760 mmHg
PKA:4.10±0.30(Predicted)
Flash Point:242.2 °C
PSA：53.09000
Density:1.663 g/cm³
LogP:3.17290
Storage Temp.:2-8°C
Solubility.:DMSO (Slightly, Methanol (Slightly, Heated)
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:228.9697338
Heavy Atom Count:14
Complexity:249

Purity/Quality:

99%, ^*data from raw suppliers

4,6-Dichloro-1h-indole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C2=C1NC(=C2)C(=O)O)Cl)Cl
Uses MDL 29951 is an allosteric inhibitor of the enzyme fructose 1,6-bisphosphatase.

Technology Process of 4,6-dichloro-1H-indole-2-carboxylic acid

There total 7 articles about 4,6-dichloro-1H-indole-2-carboxylic 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: 100.0%

: 101861-63-6
4,6-dichloro-1H-indole-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol; water; at 20 ℃;

Reference yield: 90.0%

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

: 101861-63-6
4,6-dichloro-1H-indole-2-carboxylic acid

Guidance literature:: With water; lithium hydroxide; In tetrahydrofuran; for 1h; Reflux;
DOI:10.1002/ejoc.202100021

Reference yield:

: 626-43-7
3,5-Dichloroaniline

: 101861-63-6
4,6-dichloro-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium nitrite; hydrogenchloride / water / 0.5 h / -10 °C

1.2: 7 h / 4 °C

2.1: sulfuric acid / ethanol / 3 h / 20 °C

3.1: 3 h / 110 °C

4.1: lithium hydroxide; water / tetrahydrofuran / 18 h / 20 °C

With hydrogenchloride; sulfuric acid; water; lithium hydroxide; sodium nitrite; In tetrahydrofuran; ethanol; water;