Pyrimidine, 4-chloro-2-(ethylthio)-6-methyl-

Base Information

• Chemical Name: Pyrimidine, 4-chloro-2-(ethylthio)-6-methyl-
• CAS No.: 22727-18-0
• Molecular Formula: C7H9ClN2S
• Molecular Weight: 188.681
• European Community (EC) Number: 654-734-7
• NSC Number: 163135
• DSSTox Substance ID: DTXSID50303871
• Wikidata: Q82049361
• Mol file: 22727-18-0.mol

Synonyms:22727-18-0;4-Chloro-2-(ethylthio)-6-methylpyrimidine;pyrimidine, 4-chloro-2-(ethylthio)-6-methyl-;4-chloro-2-ethylsulfanyl-6-methylpyrimidine;NSC163135;SCHEMBL11272018;DTXSID50303871;AKOS006346279;NSC-163135;SB57303;BS-50562;2-Athylmercapto-4-methyl-6-chlorpyrimidin;F75342;4-CHLORO-2-ETHYLTHIO-6-METHYLPYRIMIDINE

Chemical Property of Pyrimidine, 4-chloro-2-(ethylthio)-6-methyl-

Chemical Property:

• Vapor Pressure: 0.0068mmHg at 25°C
• Boiling Point: 279.5°C at 760 mmHg
• Flash Point: 122.8°C
• PSA: 51.08000
• Density: 1.25g/cm³
• LogP: 2.55040
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0174972
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99.90% ^*data from raw suppliers

4-Chloro-2-ethylsulfanyl-6-methyl-pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NC(=CC(=N1)Cl)C

Technology Process of Pyrimidine, 4-chloro-2-(ethylthio)-6-methyl-

There total 3 articles about Pyrimidine, 4-chloro-2-(ethylthio)-6-methyl- 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:

→ 4-chloro-2-ethylsulfanyl-6-methyl-pyrimidine (22727-18-0)

Guidance literature:

With trichlorophosphate; at 130 - 135 ℃;

Reference yield:

2-(ethylsulfanyl)-6-methylpyrimidin-4(3H)-one (3019-18-9) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3) → 4-chloro-2-ethylsulfanyl-6-methyl-pyrimidine (22727-18-0)

Guidance literature:

at 130 - 135 ℃;

Reference yield:

→ 4-chloro-2-ethylsulfanyl-6-methyl-pyrimidine (22727-18-0)

Guidance literature:

2-Mercapto-6-methyl-pyrimidinol-(4) 1) Aethylhalogenid, Na-methylat-Lsg., 2) POCl3, Siedetemp.;

upstream raw materials:

2-(ethylsulfanyl)-6-methylpyrimidin-4(3H)-one

trichlorophosphate

Downstream raw materials:

2-amino-6-methyl-4-chloropyrimidine

4-hydrazinyl-6-methylpyrimidin-2(1H)-one