2,4,5-Trifluoropyrimidine

Base Information

• Chemical Name: 2,4,5-Trifluoropyrimidine
• CAS No.: 17573-79-4
• Molecular Formula: C4H F3 N2
• Molecular Weight: 134.061
• Hs Code.: 2933599090
• European Community (EC) Number: 641-137-1
• DSSTox Substance ID: DTXSID00510139
• Wikidata: Q82368234
• Mol file: 17573-79-4.mol

Synonyms:2,4,5-Trifluoropyrimidine;17573-79-4;Pyrimidine, 2,4,5-trifluoro-;Pyrimidine, 2,4,5-trifluoro- (8CI,9CI);MFCD11845791;trifluoropyrimidine;trifluoro-pyrimidine;SCHEMBL1162292;DTXSID00510139;LYBDHGMSPQBSNW-UHFFFAOYSA-N;AMY12445;AKOS005256230;FS-4480;SB55709;CS-0448464;FT-0678817;EN300-6762696

Chemical Property of 2,4,5-Trifluoropyrimidine

Chemical Property:

• PSA: 25.78000
• LogP: 0.89390
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 134.00918253
• Heavy Atom Count: 9
• Complexity: 99.8

Purity/Quality:

98%min ^*data from raw suppliers

2,4,5-trifluoropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)F)F)F

Technology Process of 2,4,5-Trifluoropyrimidine

There total 2 articles about 2,4,5-Trifluoropyrimidine 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: 68.0%

4-chloro-2,5,6-trifluoropyrimidine (96819-50-0) → 2,4,5-Trifluoropyrimidine (17573-79-4)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In ethyl acetate; at 30 ℃; under 2625.2 Torr;

DOI:10.1016/S0022-1139(00)82875-4

Reference yield:

→ 2,4,5-Trifluoropyrimidine (17573-79-4)

Guidance literature:

Tetrafluorpyrimidin, LiAlH4, Ae. (neben anderen Prod.);

DOI:10.1039/j39690001866

Reference yield: 76.0%

p-xylylidenediamine (539-48-0) + 2,4,5-Trifluoropyrimidine (17573-79-4) → N,N'-(1,4-phenylenebis(methylene))bis(2,5-difluoropyrimidin-4-amine) (1258532-30-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 - 60 ℃;

DOI:10.1021/jm100786g

upstream raw materials:

4-chloro-2,5,6-trifluoropyrimidine

Downstream raw materials:

2,5-difluoro-6-methoxypyrimidine

5-fluorouracil

6-amino-2,5-difluoropyrimidine

N,N'-(1,4-phenylenebis(methylene))bis(2,5-difluoropyrimidin-4-amine)

Refernces

• 1、 Baasner, B.,Klauke, E.. "A NEW ROUTE TO THE SYNTHESIS OF 5-FLUOROURACIL". . p. 417 - 430. Retrieved 1989.