ChemicalBook > CAS DataBase List > 5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID

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

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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

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Safety

HS Code: 29339900

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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..…

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N-Bromosuccinimide Price

TRC

Product number: T790723
Product name: 5-(Trifluoromethyl)-1H-indole-2-carboxylicAcid
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Apolloscientific

Product number: PC408513
Product name: 5-Trifluoromethyl-1H-indole-2-carboxylicacid
Purity: 95+%
Packaging: 250mg
Price: $95
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H21-3-2L
Product name: 5-(Trifluoromethyl)-1H-indole-2-carboxylic acid
Packaging: 250mg
Price: $194
Updated: 2021/12/16

AK Scientific

Product number: Y6256
Product name: 5-(Trifluoromethyl)-1H-indole-2-carboxylicacid
Packaging: 250mg
Price: $212
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H21-3-2L
Product name: 5-(Trifluoromethyl)-1H-indole-2-carboxylic acid
Packaging: 1g
Price: $600
Updated: 2021/12/16

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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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496946-78-2, 5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACIDRelated Search:

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5-trifluoroMethyl-1H-indoleI-2-carboxylic acid

1H-Indole-2-carboxylic acid, 5-(trifluoromethyl)-

5-(TRIFLUOROMETHYL)INDOLE-2-CARBOXYLIC ACID

5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID

5-(Trifluoromethyl)indole-2-carboxylic acid ,95%

5-TRIFLUOROMETHYL-1H-INDO...

5-Trifluoromethyl-1H-indole-2-carboxylicaci

5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID ISO 9001：2015 REACH

496946-78-2

C10H6F3OO2