2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine

Base Information

• Chemical Name: 2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine
• CAS No.: 87789-51-3
• Molecular Formula: C₅H₄ClFN₂S
• Molecular Weight: 178.618
• Hs Code.: 2933599590
• European Community (EC) Number: 800-022-8
• Mol file: 87789-51-3.mol

Synonyms:87789-51-3;2-chloro-5-fluoro-4-(methylsulfanyl)pyrimidine;2-chloro-5-fluoro-4-(methylthio)pyrimidine;2-chloro-5-fluoro-4-methylsulfanylpyrimidine;Pyrimidine, 2-chloro-5-fluoro-4-(methylthio)-;MFCD16876993;2-Chloro-5-fluoro-4-methylsulfanyl-pyrimidine;C5H4ClFN2S;SCHEMBL2126014;JORGKVXNFHVPKA-UHFFFAOYSA-N;AMY34737;AKOS017518504;SB55527;SS-4557;2-chloro-5-fluoro-4-methylthiopyrimidine;SY032331;CS-0045698;P11955;2-Chloro-5-fluoro-4-(methylsulphanyl)pyrimidine;EN300-6941419;A862415;Z1255500913

Chemical Property of 2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine

Chemical Property:

• PSA: 51.08000
• LogP: 1.99100
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.9767752
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=NC=C1F)Cl

Technology Process of 2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine

There total 1 articles about 2-Chloro-5-fluoro-4-(methylsulfanyl)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: 96.0%

2,4-dichloro-5-fluoropyrimidine (2927-71-1) + sodium thiomethoxide (5188-07-8) → 2-chloro-5-fluoro-4-methylthiopyrimidine (87789-51-3)

Guidance literature:

In tetrahydrofuran; at -30 ℃; for 2h;

DOI:10.1016/j.bmc.2015.04.050

Reference yield: 94.0%

5-chloro-1-(p-tolylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (866546-11-4) + 2-chloro-5-fluoro-4-methylthiopyrimidine (87789-51-3) → 5-chloro-3-(5-fluoro-4-(methylthio)pyrimidin-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 125 ℃; for 0.25h; Inert atmosphere; Sealed tube;

DOI:10.1021/jm5007275

Reference yield:

C22H27BN2O4S + 2-chloro-5-fluoro-4-methylthiopyrimidine (87789-51-3) → C21H19FN4O2S2

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 20 ℃; for 0.5h; Inert atmosphere; Sealed tube; Reflux;

DOI:10.1021/jm5007275

upstream raw materials:

2,4-dichloro-5-fluoropyrimidine

sodium thiomethoxide