4,6-Dichloro-1H-indole-2-carboxylic acid
- Product Name
- 4,6-Dichloro-1H-indole-2-carboxylic acid
- CAS No.
- 101861-63-6
- Chemical Name
- 4,6-Dichloro-1H-indole-2-carboxylic acid
- Synonyms
- MDL 29951;4,6-Dicloroindole-2-Carboxylic;4,6-Dichloroindole-2-carboxylic;4,6-Dicloroindole-2-carboxylic acid;4,6-DICHLOROINDOLE-2-CARBOXYLIC ACID;6-Dichloro-1H-indole-2-carboxylic acid;4,6-Dichloro-1H-indol-2-carboxylic acid;4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID;1H-Indole-2-carboxylicacid, 4,6-dichloro-
- CBNumber
- CB2685360
- Molecular Formula
- C9H5Cl2NO2
- Formula Weight
- 230.05
- MOL File
- 101861-63-6.mol
4,6-Dichloro-1H-indole-2-carboxylic acid Property
- Melting point:
- 238-239 °C
- Boiling point:
- 476.9±40.0 °C(Predicted)
- Density
- 1.663±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- solubility
- DMSO (Slightly, Methanol (Slightly, Heated)
- form
- Solid
- pka
- 4.10±0.30(Predicted)
- color
- Pale Beige
- CAS DataBase Reference
- 101861-63-6(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D436808
- Product name
- 4,6-Dichloro-1h-indole-2-carboxylicacid
- Packaging
- 1g
- Price
- $115
- Updated
- 2021/12/16
- Product number
- D436808
- Product name
- 4,6-Dichloro-1h-indole-2-carboxylicacid
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- FD33803
- Product name
- 4,6-Dichloroindole-2-carboxylic acid
- Packaging
- 250mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 094518
- Product name
- 4,6-Dichloroindole-2-carboxylic acid
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $288
- Updated
- 2021/12/16
- Product number
- FD33803
- Product name
- 4,6-Dichloroindole-2-carboxylic acid
- Packaging
- 1g
- Price
- $150
- Updated
- 2021/12/16
4,6-Dichloro-1H-indole-2-carboxylic acid Chemical Properties,Usage,Production
Uses
MDL 29951 is an allosteric inhibitor of the enzyme fructose 1,6-bisphosphatase.
Synthesis
53995-82-7
101861-63-6
The general procedure for the synthesis of 4,6-dichloroindole-2-carboxylic acid from ethyl 4,6-dichloroindole-2-carboxylate was as follows: first, the intermediate 4,6-dichloro-1H-indole-2-carboxylic acid (I-id) was prepared. This was done as follows: ethyl 4,6-dichloro-1H-indole-2-carboxylate (1c) (50 g, 193.72 mmol) was dissolved in a mixed solvent consisting of THF and water (1:1, 900 mL), followed by the addition of LiOH-H2O (24.41 g, 581.7 mmol). The reaction mixture was stirred at room temperature for 18 hours. Upon completion of the reaction, THF was removed by distillation, the residue was diluted with water (400 mL) and acidified with aqueous 2N HCl to pH 6.0. The acidified solution was extracted with ethyl acetate (4×150 mL), and the combined organic layers were washed with brine (350 mL), dried over anhydrous Na2SO4, and finally concentrated under reduced pressure to afford 4,6-dichloro-1H-indole-2 -carboxylic acid (1d) 39 g in 87.5% yield as a light brown solid. The product was characterized by 1H NMR (400 MHz, DMSO-d6) and ESI MS: 1H NMR δ 12.25 (s, 1H), 7.43 (s, 1H), 7.25 (s, 1H), 7.05 (s, 1H); ESI MS m/z 227.7 (M-H).
References
[1] Patent: WO2014/37900, 2014, A1. Location in patent: Paragraph 27; 28
[2] Gazzetta Chimica Italiana, 1958, vol. 88, p. 1147,1153, 1159
[3] Journal of Medicinal Chemistry, 1990, vol. 33, # 11, p. 2944 - 2946
4,6-Dichloro-1H-indole-2-carboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4,6-Dichloro-1H-indole-2-carboxylic acid manufacturers
- Product
- 4,6-Dichloro-1H-indole-2-carboxylic acid 101861-63-6
- Price
- US $9.80/KG
- Min. Order
- 1g
- Purity
- ≥99%
- Supply Ability
- 100kg
- Release date
- 2020-01-03