4,6-Dichloro-5-fluoro-2-methylpyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-5-fluoro-2-methylpyrimidine
• CAS No.: 105806-13-1
• Molecular Formula: C5H3Cl2FN2
• Molecular Weight: 180.997
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80547842
• Wikidata: Q72490009
• Mol file: 105806-13-1.mol

Synonyms:4,6-Dichloro-5-fluoro-2-methylpyrimidine;105806-13-1;MFCD11520450;Pyrimidine, 4,6-dichloro-5-fluoro-2-methyl-;4,6-DICHLORO-5-FLUORO-2-METHYL-PYRIMIDINE;2-methyl-4,6-dichloro-5-fluoropyrimidine;SCHEMBL116963;DTXSID80547842;IWPZWKNMDQSDQP-UHFFFAOYSA-N;BCP23310;AKOS006325583;SB17755;AC-24779;DS-13046;SY107578;AM20080006;CS-0045707;EN300-107316;4 pound not6-Dichloro-5-fluoro-2-methylpyrimidine;Q-103425;Z1198330064

Chemical Property of 4,6-Dichloro-5-fluoro-2-methylpyrimidine

Chemical Property:

• Appearance/Colour: Yellow power
• Vapor Pressure: 0.167mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 220.459 °C at 760 mmHg
• PKA: -4.96±0.39(Predicted)
• Flash Point: 87.131 °C
• PSA: 25.78000
• Density: 1.505 g/cm³
• LogP: 2.23090
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 179.9657317
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,6-Dichloro-5-fluoro-2-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)F)Cl
• Use Description: 4,6-Dichloro-5-fluoro-2-methylpyrimidine is a chemical compound with various applications in different fields. In the agrochemical industry, it serves as a key building block in the synthesis of pyrimidine-based pesticides and herbicides. Its role is pivotal in the development of crop protection products that help farmers manage pests and weeds, enhancing agricultural yield and food production. Additionally, in the pharmaceutical sector, this compound can be used as an intermediate in the synthesis of pharmaceuticals, particularly those targeting neurological and parasitic diseases. Researchers utilize it to create molecules with potential therapeutic properties. Moreover, in academic research and organic chemistry, it may serve as a valuable tool for studying chemical reactions and the synthesis of complex organic molecules, contributing to the advancement of chemical science. Its multifaceted applications underscore its significance in agriculture, drug development, chemical research, and ultimately, in supporting food security and healthcare.

Technology Process of 4,6-Dichloro-5-fluoro-2-methylpyrimidine

There total 2 articles about 4,6-Dichloro-5-fluoro-2-methylpyrimidine 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: 79.0%

5-fluoro-4,6-dihydroxy-2-methylpyrimidine (1598-63-6) → 4,6-dichloro-5-fluoro-2-methylpyrimidine (105806-13-1)

Guidance literature:

With trichlorophosphate; at 120 ℃; for 3h;

Reference yield:

→ 4,6-dichloro-5-fluoro-2-methylpyrimidine (105806-13-1)

Guidance literature:

Reference yield: 94.0%

4,6-dichloro-5-fluoro-2-methylpyrimidine (105806-13-1) + 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-{[(2R)-2-methylpyrrolidin-1-yl]methyl}-1,3-thiazol-2-amine → 6-chloro-5-fluoro-N-(4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-{[(2R)-2-methylpyrrolidin-1-yl]methyl}-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 6.5h; Inert atmosphere;

DOI:10.1248/CPB.C20-00877

upstream raw materials:

5-fluoro-4,6-dihydroxy-2-methylpyrimidine

Downstream raw materials:

6-chloro-5-fluoro-2-methylpyrimidin-4-amine

4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine

[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide

GSK1322322

Refernces

• 1、 -. "PEPTIDE DEFORMYLASE INHIBITORS". Page/Page column 61. . Retrieved 2009/06/27.
• 2、 -. "CALCIUM CHANNEL ANTAGONISTS". Page/Page column 7. . Retrieved 2010/11/28.