153233-36-4

Basic information

• Product Name: 4,4,4-TRIFLUORO-3-(3-INDOLYL)BUTYRIC ACID
• Synonyms: 4,4,4-TRIFLUORO-3-(3-INDOLYL)BUTYRIC ACID;4,4,4-trifluoro-3-(1H-indol-3-yl)butanoic acid
• CAS NO: 153233-36-4
• Molecular Formula: C12H10F3NO2
• Molecular Weight: 257.21
• Mol File: 153233-36-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: approximate 119℃
• Boiling Point: 385.575 °C at 760 mmHg
• Flash Point: 186.989 °C
• Appearance: /
• Density: 1.433 g/cm³
• Vapor Pressure: 1.23E-06mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: 2-8°C
• PKA: 4.10±0.10(Predicted)
• CAS DataBase Reference: 4,4,4-TRIFLUORO-3-(3-INDOLYL)BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,4-TRIFLUORO-3-(3-INDOLYL)BUTYRIC ACID(153233-36-4)
• EPA Substance Registry System: 4,4,4-TRIFLUORO-3-(3-INDOLYL)BUTYRIC ACID(153233-36-4)

Safety Data

• Hazardous Substances Data: 153233-36-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H10F3NO2/c13-12(14,15)9(5-11(17)18)8-6-16-10-4-2-1-3-7(8)10/h1-4,6,9,16H,5H2,(H,17,18)

Upstream product

• 120-72-9 indole 
• 1275517-81-1 diethyl (R)-2-(2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl)malonate 
• 151636-96-3 (R)-ethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate 
• 116757-85-8 2,2,2-trifluoro-1-(indol-3-yl)ethanol 
• 153233-39-7 diethyl 1-(indol-3-yl)-2,2,2-trifluoroethylmalonate 

Downstream Products

• 1275518-78-9 (1S,4S)-4-(trifluoromethyl)-2,3,4,9-tetrahydro-1-phenyl-1H-pyrido[3,4-b]indole 

Relevant articles and documents

(S)-(+)-4,4,4-Trifluoro-3-(indole-3-)butyric acid, a novel fluorinated plant growth regulator

Racemic 4,4,4-trifluoro-3-(indole-3-)butyric acid (TFIBA) has been synthesized and shown to inhibit Avena coleoptile elongation. (S)-(+)-TFIBA, which was prepared by an enzymatic method and markedly promotes root growth of Chinese cabbage, lettuce and rice plants, is a novel fluorinated plant growth regulator. Activity of the (S)-(+)-enantiomer of TFIBA was 10-fold greater than that of the (R)-(-)-enantiomer in the first two plant species and 5-fold greater in rice.

Enantioselective friedel-crafts alkylation of indoles with trifluoroethylidene malonates by copper-bis(oxazoline) complexes: Construction of trifluoromethyl-substituted stereogenic tertiary carbon center

An enantioselective alkylation of indoles with trifluoroethylidene malonates catalyzed by copper(II)-bis (oxazoline) complexes has been developed. The expected adducts with a stereogenic tertiary carbon center bearing a trifluoromethyl group were obtained