Trifluorothymine Chemical Properties

Melting point:

245-246 °C(lit.)

Density 

1.5484 (estimate)

storage temp. 

Sealed in dry,Store in freezer, under -20°C

solubility 

methanol: soluble50mg/mL, clear

pka

6.63±0.10(Predicted)

form 

powder to crystal

color 

White to Orange to Green

Water Solubility 

INSOLUBLE

BRN 

612694

InChIKey

LMNPKIOZMGYQIU-UHFFFAOYSA-N

CAS DataBase Reference

54-20-6(CAS DataBase Reference)

NIST Chemistry Reference

2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6)

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

22-36/38-40-36/37/38-25

Safety Statements 

24/25-36-26

RIDADR 

2811

WGK Germany 

3

RTECS 

YR1750000

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

Ⅲ

HS Code 

29335990

Toxicity

LD50 intraperitoneal in mouse: 800mg/kg

MSDS

• Language:English Provider:Trifluoromethyluracil
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Trifluorothymine Usage And Synthesis

Chemical Properties

White to faintly yellow crystalline powder

Uses

Trifluorothymine is an antitumor and antiviral agent. Trifluorothymine was found in patientsтАЩ urine as a metabolite of Trifluorothymidine as cancer treatment.

Application

Trifluorothymine (5-(Trifluoromethyl)uracil) is an application medicine intermediate widely. It may be used for the synthesis of the cancer therapy drug trifluridine and also can be used for the preparation of the 2, 4-dichloro-5-trifluoromethyluracil.

Synthesis

Uracil and sodium triflate can be used as raw materials to synthesize Trifluorothymine. This reaction uses a mixed solvent of methylene chloride and water as the reaction solvent and tert-butyl hydroperoxide as the catalyst.

Trifluorothymine(54-20-6)Related Product Information

• (Trifluoromethyl)trimethylsilane
• 3-(Trifluoromethyl)benzaldehyde
• 3-（trifluoromethyl) Cinnamaldehyde
• Trifluoromethanesulfonic acid
• Trifluoromethanesulfonic anhydride
• 3-(Trifluoromethyl)benzoic acid
• 2-Methylbenzotrifluoride
• [2-13C,15N2]-Trifluorothymine
• Trifluridine Impurity
• Trifluridine
• 6-(TRIFLUOROMETHYL)URACIL
• Thymine
• Uracil
• 5-(TRIFLUOROMETHYL)-URIDINE
• 1-(2-HYDROXY-ETHOXYMETHYL)-5-TRIFLUOROMETHYL-1H-PYRIMIDINE-2,4-DIONE
• 3'-O-benzyl-2'-deoxy-5-trifluoromethyluridine
• Trifluoromethyl
• Trifluorothymine