5,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACIL

Base Information

• Chemical Name: 5,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACIL
• CAS No.: 2145-56-4
• Molecular Formula: C5H5 F3 N2 O2
• Molecular Weight: 182.102
• Hs Code.: 2933599090
• Mol file: 2145-56-4.mol

Synonyms:Hydrouracil,5-(trifluoromethyl)- (7CI,8CI); 5-(Trifluoromethyl)-5,6-dihydrouracil

Chemical Property of 5,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACIL

Chemical Property:

• Melting Point: 205-206 °C
• Refractive Index: 1.4
• Boiling Point: 10.68±0.40(Predicted)
• PSA: 58.20000
• Density: 1.461±0.06 g/cm3(Predicted)
• LogP: 0.66190
• Solubility.: ethanol: >10 mg/mL

Purity/Quality:

≥99.0% ^*data from raw suppliers

5-Trifluoromethyl-dihydro-pyrimidine-2,4-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACIL

There total 6 articles about 5,6-DIHYDRO-5-(TRIFLUOROMETHYL)URACIL which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

sodium isocyanate (917-61-3) + α-(trifluoromethyl)-β-alanine (104939-18-6,122490-10-2) → 5-trifluoromethyl-5,6-dihydrouracil (2145-56-4)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 4h; Reagent/catalyst;

Reference yield: 67.0%

trifluoromethyacrylic acid (381-98-6) + urea (57-13-6) → 5-trifluoromethyl-5,6-dihydrouracil (2145-56-4)

Guidance literature:

In acetic anhydride; at 100 ℃; for 1h;

DOI:10.1055/s-1984-30964

Reference yield: 26.0%

2-bromo-3,3,3-trifluoropropene (1514-82-5) + carbon monoxide (201230-82-2) + urea (57-13-6) → 5-trifluoromethyl-5,6-dihydrouracil (2145-56-4)

Guidance literature:

With triethylamine; PdCl₂(PPh₃); In N,N-dimethyl-formamide; at 60 ℃; for 18h; under 34200 Torr;

DOI:10.1016/S0040-4039(00)88357-4

upstream raw materials:

2-bromo-3,3,3-trifluoropropene

carbon monoxide

urea

trifluoromethyacrylic acid

Downstream raw materials:

5-trifluoromethyluracil

5-bromo-5-trifluoromethyl-5,6-dihydrouracil

Refernces

• 1、 Heidelberger et al.. "-". . p. 3597. Retrieved 1962.
• 2、 -. "Preparation method of 5-trifluoromethyl-5,6-dihydrouracil". Paragraph 0066. . Retrieved 2017/08/29.
• 3、 -. "Production of 5-perfluoroalkyldihydrouracil derivatives". . . Retrieved 2008/06/13.