ChemicalBook > CAS DataBase List > 6-(TRIFLUOROMETHYL)URACIL

6-(TRIFLUOROMETHYL)URACIL

Product Name: 6-(TRIFLUOROMETHYL)URACIL
CAS No.: 672-45-7
Chemical Name: 6-(TRIFLUOROMETHYL)URACIL
Synonyms: 6-(TRIFLUOROMETHYL)URACYL;6-(TRIFLUOROMETHYL)URACIL;6-(Trifluoromethyl)uracil 98%;6-(Trifluoromethyl)-2,4-pyrimidinediol;6-Trifluoromethyl-1H-pyrimidine-2,4-dione;2,4-Dihydroxy-6-trifluoromethylpyrimidine;6-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;6-(TRIFLUOROMETHYL)-2,4-(1H,3H)PYRIMIDINEDIONE;2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-;6-(trifluoromethyl)pyrimidine-2,4-diol,6-(Trifluoromethyl)uracil
CBNumber: CB4457563
Molecular Formula: C5H3F3N2O2
Formula Weight: 180.08
MOL File: 672-45-7.mol

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6-(TRIFLUOROMETHYL)URACIL Property

Melting point:: 230-235 °C (lit.)
Density: 1.554±0.06 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
pka: 4.70±0.10(Predicted)
form: Powder
Appearance: White to off-white Solid
CAS DataBase Reference: 672-45-7(CAS DataBase Reference)
NIST Chemistry Reference: Uracil, 6-(trifluoromethyl)-,(672-45-7)

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Safety

Hazard Codes: Xi
Safety Statements: 24/25
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29335990

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 546011
Product name: 6-(Trifluoromethyl)uracil
Purity: 97%
Packaging: 5g
Price: $187
Updated: 2023/06/20

TRC

Product number: T791575
Product name: 6-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
Packaging: 25g
Price: $525
Updated: 2021/12/16

Apolloscientific

Product number: PC1992
Product name: 6-(Trifluoromethyl)uracil
Purity: 98%
Packaging: 25g
Price: $571
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: NUC0000653
Product name: 6-(TRIFLUOROMETHYL)URACIL
Purity: 95.00%
Packaging: 1G
Price: $605.15
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: NUC0000653
Product name: 6-(TRIFLUOROMETHYL)URACIL
Purity: 95.00%
Packaging: 2.5G
Price: $769.05
Updated: 2021/12/16

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6-(TRIFLUOROMETHYL)URACIL Chemical Properties,Usage,Production

Uses

6-(Trifluoromethyl)-2,4(1H,3H)-pyrimidinedione is an anticancer drug, produced from catalytic trifluoromethylation of uracil.

Synthesis Reference(s)

The Journal of Organic Chemistry, 24, p. 113, 1959 DOI: 10.1021/jo01083a607

Synthesis

372-31-6

57-13-6

672-45-7

Ethyl 4,4,4-trifluoro-3-oxobutanoate (3 g, 16.30 mmol) was dissolved in ethanol (30 mL) under argon protection and urea (978 mg, 16.30 mmol) was added with stirring. Subsequently, freshly prepared sodium ethoxide solution (made by reacting 750 mg of sodium metal with 30 mL of anhydrous ethanol) was added to the reaction system. The reaction mixture was heated to 90 °C and the reaction was stirred at this temperature for 24 hours. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, volatile solvents were removed by distillation under reduced pressure, and the residue was diluted with water (25 mL), acidified with 1N hydrochloric acid (10 mL) to pH < 7, and then extracted with ethyl acetate (2 x 40 mL). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the target product 6-(trifluoromethyl)uracil (650 mg, 22% yield) as a white solid. Thin layer chromatographic conditions: 5% methanol/dichloromethane (Rf=0.3).1H-NMR (DMSO-d6, 500MHz) data: δ 11.07 (s, 1H), 11.54 (s, 1H), 6.07 (s, 1H).

References

[1] Patent: WO2015/57945, 2015, A1. Location in patent: Paragraph 00121
[2] Journal of Organic Chemistry, 1959, vol. 24, p. 113
[3] Journal of the American Chemical Society, 1958, vol. 80, p. 5744,5751

6-(TRIFLUOROMETHYL)URACIL Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 6-(TRIFLUOROMETHYL)URACIL manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 6-(Trifluoromethyl)Uracil 672-45-7
Price: US $2.20-8.80/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-17

Shaanxi Dideu Medichem Co. Ltd

Product: 6-(Trifluoromethyl)uracil 672-45-7
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20T
Release date: 2020-05-14

Career Henan Chemical Co

Product: 6-(TRIFLUOROMETHYL)URACIL 672-45-7
Price: US $1.00/KG
Min. Order: 1KG
Purity: 97%-99.9%
Supply Ability: 100kg
Release date: 2019-12-20

672-45-7, 6-(TRIFLUOROMETHYL)URACILRelated Search:

2-Amino-4-hydroxy-6-(trifluoromethyl)uracil 6-(TRIFLUOROMETHYL)URACIL BUTAFENACIL 5-(TRIFLUOROMETHYL)URACIL,5-(Trifluoromethyl)uracil,97%,5-(Trifluoromethyl)uracil98%,5-(TRIFLUOROMETHYL)URACIL: 98.5% Trifluridine FLUACRYPYRIM 5,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACIL 5-TRIFLUOROMETHYL URACIL, [2-13C-1,3-15N]- 4-METHOXY-2-(2,4,5-TRICHLOROPHENOXY)-6-(TRIFLUOROMETHYL)PYRIMIDINE 3-ethyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione 3-propyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione 3-(3-chlorophenyl)-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione 3-allyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione 3-cyclohexyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione 1,3-DIMETHYL-6-TRIFLUOROMETHYL-1H-PYRIMIDINE-2,4-DIONE 3-(2-chlorophenyl)-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione 4-METHOXY-2-(2-NAPHTHYLOXY)-6-(TRIFLUOROMETHYL)PYRIMIDINE 3-(4-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-2,4(1H,3H)-PYRIMIDINEDIONE

6-(Trifluoromethyl)uracil 98%

6-(TRIFLUOROMETHYL)URACIL

6-(TRIFLUOROMETHYL)URACYL

6-(TRIFLUOROMETHYL)-2,4-(1H,3H)PYRIMIDINEDIONE

2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-

6-(Trifluoromethyl)-2,4-pyrimidinediol

6-Trifluoromethyl-1H-pyrimidine-2,4-dione

6-(Trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

2,4-Dihydroxy-6-trifluoromethylpyrimidine

6-(trifluoromethyl)pyrimidine-2,4-diol,6-(Trifluoromethyl)uracil

672-45-7

54-20-7

C5H3F3N2O2

Heterocyclic Building Blocks

Pyrimidines

Building Blocks

Pyrimidine series

Heterocyclic Compounds

Building Blocks

Heterocyclic Building Blocks

Pyrimidines