4,6-Difluoropyrimidine

Base Information

• Chemical Name: 4,6-Difluoropyrimidine
• CAS No.: 2802-62-2
• Molecular Formula: C4H2F2N2
• Molecular Weight: 116.07
• Hs Code.: 2933599090
• European Community (EC) Number: 808-946-3
• DSSTox Substance ID: DTXSID80182297
• Nikkaji Number: J80.569F
• Wikidata: Q72464247
• Mol file: 2802-62-2.mol

Synonyms:4,6-difluoropyrimidine;2802-62-2;4,6-Difluoro-pyrimidine;Pyrimidine, 4,6-difluoro-;Pyrimidine,4,6-difluoro-;4,6- Difluoropyrimidine;MFCD03412223;difluoropyrimidine;bis(fluoro)pyrimidine;4, 6-difluoropyrimidine;SCHEMBL394820;DTXSID80182297;AMY12503;4,6-Difluoropyrimidine, AldrichCPR;BBL103017;STL556826;AKOS006346227;SB57264;AS-40418;SY035520;CS-0132157;FT-0678815;EN300-112253;A819288

Chemical Property of 4,6-Difluoropyrimidine

Chemical Property:

• Vapor Pressure: 15.2mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 124.8 °C at 760 mmHg
• PKA: -4.88±0.17(Predicted)
• Flash Point: 29.3 °C
• PSA: 25.78000
• Density: 1.376 g/cm³
• LogP: 0.75480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 116.01860440
• Heavy Atom Count: 8
• Complexity: 70.4

Purity/Quality:

98% ^*data from raw suppliers

4,6-Difluoropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CN=C1F)F

Technology Process of 4,6-Difluoropyrimidine

There total 3 articles about 4,6-Difluoropyrimidine 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: 66.0%

4,6-dichloropyrimidine (1193-21-1) → 4,6-difluoro-pyrimidine (2802-62-2)

Guidance literature:

With potassium fluoride; tetrabutylammomium bromide; In sulfolane;

Reference yield: 7.3%

4,6-dichloropyrimidine (1193-21-1) + sulfur tetrafluoride → 4,6-difluoro-pyrimidine (2802-62-2)

Guidance literature:

Reference yield:

→ 4,6-difluoro-pyrimidine (2802-62-2)

Guidance literature:

6Fluor-4-chlor-pyrimidin, CsF in N-Methyl-α-pyrrolidon (100^o);

upstream raw materials:

4,6-dichloropyrimidine

Downstream raw materials:

PYRIMIDINE

4-fluoro-6-[(α,α,α-trifluoro-m-tolyl)oxy]pyrimidine

4-fluoro-6-(4-(1-(4-fluorophenyl)ethyl)piperazin-1-yl)pyrimidine

Refernces

• 1、 -. "Process for the preparation of unsymmetrical 4,6-bis(aryloxy) pyrimidine compounds". . . Retrieved 2008/06/13.
• 2、 Fukuhara, Tsuyoshi,Yoneda, Norihiko. "Halogen-Exchange Fluorination of Aromatic Halides with HF or HF-Base". . p. 509 - 512. Retrieved 2007/10/02.