4-Chloro-6-methyl-2-(methylthio)pyrimidine

Base Information

• Chemical Name: 4-Chloro-6-methyl-2-(methylthio)pyrimidine
• CAS No.: 17119-73-2
• Molecular Formula: C6H7ClN2S
• Molecular Weight: 174.654
• Hs Code.: 29339900
• European Community (EC) Number: 634-115-8
• NSC Number: 48354
• DSSTox Substance ID: DTXSID10286934
• Nikkaji Number: J2.003.386J
• Wikidata: Q72454341
• Mol file: 17119-73-2.mol

Synonyms:4-Chloro-6-methyl-2-(methylthio)pyrimidine;17119-73-2;4-chloro-6-methyl-2-(methylsulfanyl)pyrimidine;4-chloro-6-methyl-2-methylsulfanylpyrimidine;4-Chloro-6-methyl-2-methylsulfanyl-pyrimidine;MFCD00023233;4-chloro-6-methyl-2-methylthiopyrimidine;pyrimidine, 4-chloro-6-methyl-2-(methylthio)-;NSC48354;SCHEMBL1902046;DTXSID10286934;ALMBOXQFPLQVLF-UHFFFAOYSA-N;BCP25607;NSC-48354;AKOS002363279;CS-W009050;GS-5786;SB11779;AC-26636;SY034286;4-chloro-6-methyl-2-methylthio-pyrimidine;4-chloro-6-methyl-2-methylmercaptopyrimidine;A3775;BB 0240278;C2952;FT-0645335;4-Chloro-6-methyl-2-(methylthio)-pyrimidine;4-chloro-6-methyl-2-methylsulfanylpyri-midine;4-Chloro-6-methyl-2-methylsulfanyl-pyrimidin e;EN300-208492;AE-641/00669063;F3284-7954;Z1198147867;4,6-dichloro-2-(methylthio)pyrimidine

Chemical Property of 4-Chloro-6-methyl-2-(methylthio)pyrimidine

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Melting Point: 37-38℃
• Refractive Index: 1.581
• Boiling Point: 266.2±20.0 °C at 760 mmHg
• PKA: 0.16±0.30(Predicted)
• Flash Point: 114.8±21.8 °C
• PSA: 51.08000
• Density: 1.3±0.1 g/cm³
• LogP: 2.16030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Sparingly), MEthanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.0018471
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

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

4-Chloro-6-methyl-2-(methylthio)pyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC)Cl
• Uses: 4-Chloro-6-methyl-2-(methylthio)pyrimidine has been used in the synthesis of 4-chloro-2-(3,5-dimethyl-1h-pyrazol-1-yl)-6-methylpyrimidine.

Technology Process of 4-Chloro-6-methyl-2-(methylthio)pyrimidine

There total 12 articles about 4-Chloro-6-methyl-2-(methylthio)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: 91.0%

4-Hydroxy-6-methyl-2-methylthiopyrimidine (6328-58-1) → 4-chloro-6-methyl-2-methylthiopyrimidine (17119-73-2)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 5h;

DOI:10.1021/jm061319i

Reference yield: 71.0%

6-methyl-2-methylsulfanyl-3H-pyrimidin-4-one (6328-58-1) → 4-chloro-6-methyl-2-methylthiopyrimidine (17119-73-2)

Guidance literature:

With phosphorus pentachloride; at 75 - 130 ℃;

DOI:10.1134/S1070363211020186

Reference yield:

4-Chloro-2-methylthiopyrimidine (49844-90-8) → 4-chloro-6-methyl-2-methylthiopyrimidine (17119-73-2)

Guidance literature:

4-Chloro-2-methylthiopyrimidine; With methyllithium; In diethyl ether; at -78 - 0 ℃; for 1h;

With water; In tetrahydrofuran; diethyl ether; at 0 ℃; for 0.166667h;

With sodium hydroxide; 2,3-dichloro-5,6-dicyanohydroquinone; more than 3 stages;

upstream raw materials:

4-Hydroxy-6-methyl-2-methylthiopyrimidine

6-methyl-2-thiouracil

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

methylmagnesium bromide

Downstream raw materials:

6-Methyl-4-N-methylanilino-2-methylthiopyrimidine hydrochloride

2-(Methylthio)-6-methyl-pyrimidin-thiol-(4)

4,6-dichloro-2-(methylsulfonyl)pyrimidine

Refernces

• 1、 Ayvazyan, Armen G.,Azaryan, Zhermen A.,Ghazaryan, Emma A.,Pivazyan, Vergush A.,Tamazyan, Rafael A.,Yengoyan, Aleksandr P.. "Synthesis and preliminary biological properties assessment of novel 2-s-, 4-, 5-substituted and bicyclic derivatives of 6-methylpyrimidine-4-ol". . p. 149 - 156. Retrieved 2020/02/04.
• 2、 -. "Substituted 5-Hetaryl-4-Aminopyrimidines". Page/Page column 36-37. . Retrieved 2011/09/14.