142012-65-5

Basic information

• Product Name: 4-(Trifluoromethyl)-DL-phenylglycine
• Synonyms: Benzeneacetic acid, alpha-amino-4-(trifluoromethyl)-;4-(Trifluoromethyl)-DL-phenylglycine97%;4-(Trifluoromethyl)-DL-phenylglycine4-(Trifluoromethyl)-DL-phenylglycine;2-AMINO-2-(4-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID;2-(4-TRIFLUOROMETHYL-PHENYL)-DL-GLYCINE;AMINO-(4-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID;4-(TRIFLUOROMETHYL)-DL-PHENYLGLYCINE;4-(TRIFLUOROMETHYL)PHENYLGLYCINE
• CAS NO: 142012-65-5
• Molecular Formula: C₉H₈F₃NO₂
• Molecular Weight: 219.16
• Product Categories: pharmacetical
• Mol File: 142012-65-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 297.2°C at 760mmHg
• Flash Point: 133.6°C
• Appearance: /
• Density: 1.415g/cm³
• Vapor Pressure: 0.000614mmHg at 25°C
• Refractive Index: 1.504
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 1.65±0.10(Predicted)
• CAS DataBase Reference: 4-(Trifluoromethyl)-DL-phenylglycine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Trifluoromethyl)-DL-phenylglycine(142012-65-5)
• EPA Substance Registry System: 4-(Trifluoromethyl)-DL-phenylglycine(142012-65-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 142012-65-5(Hazardous Substances Data)

Usage

Uses

α-Amino-4-(Trifluoromethyl)benzeneacetic Acid is a derivative of 4-(Trifluoromethyl)benzeneacetic Acid (T792090), which is an intermediate used in synthesizing PPARγ/δ dual agonists via solid-Phase parallel synthesis. It is also used in preparing heterocyclic xanthine derivatives as highly potent and selective human A2B adenosine receptor antagonists.

InChI:InChI=1/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)

Upstream product

• 79478-02-7 4-(trifluoromethyl)phenylglyoxylic acid 

Downstream Products

• 950651-37-3 ethyl {2-oxo-3-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.4]non-3-en-1-yl}acetate 
• 950651-38-4 {2-oxo-3-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.4]non-3-en-1-yl}acetic acid 
• 203065-99-0 2-amino-2-(4-(trifluoromethyl)phenyl)acetamide 
• 950651-07-7 3-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one 
• 389840-43-1 C₁₄H₁₀F₃NO 
• 478247-76-6 2-(4-(trifluoromethyl)phenyl)benzoxazole 
• 473416-36-3 2-amino-2-(4-(trifluoromethyl)phenyl)ethan-1-ol 

Relevant articles and documents

CATALYST COMPOUNDS

The present invention relates to an iridium-based catalyst compound for hydrogenating reducible moieties, especially imines and iminiums, the catalyst compounds being defined by the formulas: where ring B is either itself polycyclic, or ring B together with R is polycyclic. The catalysts of the invention are particularly effective in reductive amination procedures 10 which involve the in situ generation of the imine or iminium under reductive hydrogenative conditions.

CATALYST COMPOUNDS

The present invention relates to an iridium-based catalyst compound for hydrogenating reducible moieties, especially imines and iminiums, the catalyst compounds being defined by the formulas: where ring B is either itself polycyclic, or ring B together with R is polycyclic. The catalysts of the invention are particularly effective in reductive amination procedures 10 which involve the in situ generation of the imine or iminium under reductive hydrogenative conditions.