3,3,3-Trifluoro-2,2-dimethylpropionic acid Chemical Properties

Melting point:

66-71 °C

Boiling point:

76-77°C/14mm

Density 

1.278±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

3.10±0.10(Predicted)

color 

White to Off-White

InChI

InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)

InChIKey

VMFSJVUPIXOCFO-UHFFFAOYSA-N

SMILES

C(O)(=O)C(C)(C)C(F)(F)F

CAS DataBase Reference

889940-13-0

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26

RIDADR 

3261

WGK Germany 

3

HazardClass 

IRRITANT

HazardClass 

8

PackingGroup 

III

HS Code 

29159000

3,3,3-Trifluoro-2,2-dimethylpropionic acid Usage And Synthesis

Uses

3,3,3-Trifluoro-2,2-dimethylpropanoic Acid, is an organic buliding blocks, that can be used in the synthesis of variety of pharmaceutical compounds, such as inhibitors.

Synthesis

Prepare a dry, clean 1L four-necked flask. 18g of 3,3,3-trifluoro-2,2-dimethylpropanenitrile was added to it, and 500 ml of a 5 mol/L sodium hydroxide aqueous solution was placed in the flask; stir well; the mixture was heated to a temperature of 90-100 ° C and refluxed overnight. The reaction was terminated until 3,3,3-trifluoro-2,2-dimethylpropanenitrile was completely reacted. Concentrated hydrochloric acid was used to adjust the pH to 1. Continue stirring for 30 minutes, Extracted with 50*3ml of dichloromethane; the organic layers were combined and concentrated to give a white solid (3,3,3-Trifluoro-2,2-dimethylpropionic acid). The yield was 84.3% (GC 98%).

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