4,6-Dichloro-2-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-2-(trifluoromethyl)pyrimidine
• CAS No.: 705-24-8
• Molecular Formula: C5HCl2F3N2
• Molecular Weight: 216.978
• Hs Code.: 29335990
• European Community (EC) Number: 691-187-3
• DSSTox Substance ID: DTXSID20577249
• Wikidata: Q72468500
• Mol file: 705-24-8.mol

Synonyms:705-24-8;4,6-Dichloro-2-(trifluoromethyl)pyrimidine;4,6-DICHLORO-2-TRIFLUOROMETHYLPYRIMIDINE;4,6-Dichloro-2-trifluoromethyl-pyrimidine;MFCD08436597;Pyrimidine, 4,6-dichloro-2-(trifluoromethyl)-;SCHEMBL231621;4 pound not6-DICHLORO-2-TRIFLUOROMETHYLPYRIMIDINE;DTXSID20577249;AKOS000320524;AS-5469;CS-W003513;SB60686;AC-25255;SY017398;4,6-dichloro-2-trifluoromethyl pyrimidine;AM20100666;EN300-183157;4,6-Dichloro-2-(trifluoromethyl)pyrimidine, 97%;A847621;J-514128;F2124-0819;Z1269225854;3-[4-[(4-BROMOPHENYL)THIO]-3-NITROPHENYL]ACRYLICACID

Chemical Property of 4,6-Dichloro-2-(trifluoromethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 3.63mmHg at 25°C
• Refractive Index: n20/D 1.468
• Boiling Point: 157 °C at 760 mmHg
• PKA: -7.59±0.30(Predicted)
• Flash Point: 48.8 °C
• PSA: 25.78000
• Density: 1.627 g/cm³
• LogP: 2.80220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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: 153

Purity/Quality:

97% ^*data from raw suppliers

4,6-Dichloro-2-trifluoromethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(N=C1Cl)C(F)(F)F)Cl
• Uses: 4,6-Dichloro-2-trifluoromethylpyrimidine

Technology Process of 4,6-Dichloro-2-(trifluoromethyl)pyrimidine

There total 2 articles about 4,6-Dichloro-2-(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: 78.8%

2-trifluoromethyl-4,6-dihydroxypyrimidine (672-47-9) → 4,6-dichloro-2-(trifluoromethyl)pyrimidine (705-24-8)

Guidance literature:

With trichlorophosphate; In water; triethylamine;

Reference yield:

→ 4,6-dichloro-2-(trifluoromethyl)pyrimidine (705-24-8)

Guidance literature:

4,6-Dihydroxy-2-trifluormethyl-pyrimidin, POCl3, Dimethylanilin (Rueckfl., 2h; Ausb. 59percent);

Reference yield: 93.0%

(R)-N-(4-cyanophenylethyl)piperidine-3-carboxamide (1595144-12-9) + 4,6-dichloro-2-(trifluoromethyl)pyrimidine (705-24-8) → (R)-1-(6-chloro-2-(trifluoromethyl)pyrimidin-4-yl)-N-(4-cyanophenylethyl)piperidine-3-carboxamide (1595144-50-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 25 ℃; for 0.5h;

DOI:10.1021/jm401731q

upstream raw materials:

2-trifluoromethyl-4,6-dihydroxypyrimidine

Downstream raw materials:

6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine

C₁₉H₂₀F₃N₃O₃

C₁₈H₁₉ClF₃N₃O

C₃₄H₄₅F₃N₁₀O₂Si