5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
- Product Name
- 5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
- CAS No.
- 496946-78-2
- Chemical Name
- 5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
- Synonyms
- 5-TRIFLUOROMETHYL-1H-INDO...;5-Trifluoromethyl-1H-indole-2-carboxylicaci;5-(TRIFLUOROMETHYL)INDOLE-2-CARBOXYLIC ACID;5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID;5-trifluoroMethyl-1H-indoleI-2-carboxylic acid;5-(Trifluoromethyl)indole-2-carboxylic acid ,95%;1H-Indole-2-carboxylic acid, 5-(trifluoromethyl)-;5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID ISO 9001：2015 REACH
- CBNumber
- CB1121887
- Molecular Formula
- C10H6F3NO2
- Formula Weight
- 229.16
- MOL File
- 496946-78-2.mol
5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID Property
- Boiling point:
- 402.5±40.0 °C(Predicted)
- Density
- 1.549±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 4.23±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
Safety
- HS Code
- 29339900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- T790723
- Product name
- 5-(Trifluoromethyl)-1H-indole-2-carboxylicAcid
- Packaging
- 10mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- PC408513
- Product name
- 5-Trifluoromethyl-1H-indole-2-carboxylicacid
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $95
- Updated
- 2021/12/16
- Product number
- 4H21-3-2L
- Product name
- 5-(Trifluoromethyl)-1H-indole-2-carboxylic acid
- Packaging
- 250mg
- Price
- $194
- Updated
- 2021/12/16
- Product number
- Y6256
- Product name
- 5-(Trifluoromethyl)-1H-indole-2-carboxylicacid
- Packaging
- 250mg
- Price
- $212
- Updated
- 2021/12/16
- Product number
- 4H21-3-2L
- Product name
- 5-(Trifluoromethyl)-1H-indole-2-carboxylic acid
- Packaging
- 1g
- Price
- $600
- Updated
- 2021/12/16
5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID Chemical Properties,Usage,Production
Synthesis
127-17-3
163444-17-5
496946-78-2
General procedure for the synthesis of 5-trifluoromethylindole-2-carboxylic acid from pyruvic acid and 4-amino-3-iodobenzotrifluoride: A mixture of 2.28 g of 2-iodo-4-trifluoromethylaniline, 2.10 g of pyruvic acid, 2.67 g of DAI3CO, 89 mg of palladium(II) acetate, and 25 mL of DMF was stirred for 24 hr at 100°C, and the reaction was carried out in a nitrogen atmosphere. Upon completion of the reaction, the reaction mixture was cooled to room temperature, 25 mL of ethyl acetate and 50 mL of 5M hydrochloric acid were added, and the mixture was extracted three times with ethyl acetate. The organic layers were combined, washed sequentially with water and saturated saline, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The residue was washed with chloroform to give 1.15 g of 5-trifluoromethylindole-2-carboxylic acid (hereinafter referred to as "Compound 7").1H-NMR (DMSO-d6) δ: 13.24 (br s, 1H), 12.20 (br s, 1H), 8.08 (s, 1H), 7.60 (d, 1H, J = 8.8), 7.60 (d, 1H, J = 8.8). 1H, J = 8.8 Hz), 7.51 (dd, 1H, J = 8.8, 1.6 Hz), 7.24 (d, 1H, J = 1.6 Hz).
References
[1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 9, p. 2722 - 2725
[2] Patent: WO2015/49616, 2015, A1. Location in patent: Page/Page column 66; 67
[3] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 24, p. 4385 - 4388
[4] Patent: US2007/88071, 2007, A1. Location in patent: Page/Page column 16
[5] Patent: US2015/289512, 2015, A1. Location in patent: Paragraph 1210; 1211
5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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