2,4-Dichloro-5-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 2,4-Dichloro-5-(trifluoromethyl)pyrimidine
• CAS No.: 3932-97-6
• Molecular Formula: C5HCl2F3N2
• Molecular Weight: 248.507
• Hs Code.: 29335990
• European Community (EC) Number: 609-648-4
• DSSTox Substance ID: DTXSID10382283
• Nikkaji Number: J3.064.231G
• Wikidata: Q72468504
• Mol file: 3932-97-6.mol

Synonyms:2,4-Dichloro-5-(trifluoromethyl)pyrimidine;3932-97-6;2,4-Dichloro-5-trifluoromethylpyrimidine;2,4-Dichloro-5-trifluoromethyl-pyrimidine;MFCD03426408;PYRIMIDINE, 2,4-DICHLORO-5-(TRIFLUOROMETHYL)-;EC 609-648-4;5-trifluoromethyl-2,4-dichloropyrimidine;SCHEMBL153856;DTXSID10382283;BCP08006;CS-D0902;BBL101967;STL555764;AKOS005063355;AB14881;AC-6522;PS-7924;2,4-dichloro-5-trifluoromethylpyrimidin;2,6-dichloro-5-trifluoromethylpyrimidine;2.4-dichloro-5-trifluoromethylpyrimidine;2,4-dichloro-5-(trifluromethyl)pyrimidine;2,4-dichloro-5-trifluoromethyl pyrimidine;2, 4-dichloro-5-(trifluoromethyl)pyrimidine;2,4-dichloro-5 -(trifluoromethyl)pyrimidine;2,4-dichloro-5-(trifluoromethyl) pyrimidine;5-(trifluoromethyl)-2,4-di-chloropyrimidine;AM20100037;FT-0647100;EN300-82767;2,4-Dichloro-5-(trifluoromethyl)pyrimidine, 97%;A935135;W-202623;F2113-0353;Z1238542816

Chemical Property of 2,4-Dichloro-5-(trifluoromethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Refractive Index: 1.4749
• Boiling Point: 230.1 °C at 760 mmHg
• PKA: -4.89±0.29(Predicted)
• Flash Point: 93 °C
• PSA: 25.78000
• Density: 1.627 g/cm³
• LogP: 2.80220
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 215.9468879
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-5-trifluoromethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C, T
• Hazard Codes: Xi,C,T
• Statements: 36/37/38-36-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F
• Uses: 2,4-Dichloro-5-trifluoromethylpyrimidine is a reactant in the preparation of pyrimidine derivatives as inhibitors of gene ALK protein Kinase phosphorylating kinase and as cell proliferation inhibitors.

Technology Process of 2,4-Dichloro-5-(trifluoromethyl)pyrimidine

There total 5 articles about 2,4-Dichloro-5-(trifluoromethyl)pyrimidine 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: 95.0%

5-trifluoromethyluracil (54-20-6) → 2,4-dichloro-5-trifluoromethylpyrimidine (3932-97-6)

Guidance literature:

With phosphoric acid; N-ethyl-N,N-diisopropylamine; trichlorophosphate; at 85 - 100 ℃; for 20h;

Reference yield: 95.0%

trifluoromethyluracil → 2,4-dichloro-5-trifluoromethylpyrimidine (3932-97-6)

Guidance literature:

With phosphoric acid; N-ethyl-N,N-diisopropylamine; trichlorophosphate; at 85 - 100 ℃; for 20h;

Reference yield: 81.0%

(trifluoromethyl)trimethylsilane (81290-20-2) + 2,4-dichloro-5-iodopyrimidine (13544-44-0) → 2,4-dichloro-5-trifluoromethylpyrimidine (3932-97-6)

Guidance literature:

With potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; Trimethyl borate; In dimethyl sulfoxide; at 60 ℃; for 2h; Inert atmosphere;

upstream raw materials:

5-trifluoromethyluracil

(trifluoromethyl)trimethylsilane

2,4-dichloro-5-iodopyrimidine

3-chloro-4-methylbenzamide

Downstream raw materials:

2-(4-methylphenylamino)-4-chloro-5-(trifluoromethyl)pyrimidine

2-chloro-4-(4-methylphenylamino)-5-(trifluoromethyl)pyrimidine

benzyl 4-(4-chloro-5-trifluoromethyl-pyrimidin-2-ylamino)-benzoate

C₁₄H₉ClF₃N₃O

Refernces

• 1、 -. "Pyrimidine or triazine derivative, and preparation method and use thereof". Paragraph 0136; 0137. . Retrieved 2016/10/08.
• 2、 Kagawa, Takumi,Shigehiro, Daiki,Kawada, Kosuke. "Trifluoroethoxy group as a leaving group for regioselective sequential substitution reactions of 5-trifluoromethylpyrimidine derivative with heteroatom nucleophiles". . p. 150 - 158. Retrieved 2015/11/10.