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

Base Information

• Chemical Name: 4,6-Dimethyl-2-(methylthio)pyrimidine
• CAS No.: 14001-64-0
• Molecular Formula: C7H10N2S
• Molecular Weight: 154.236
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID10492396
• Nikkaji Number: J1.575.312I
• Wikidata: Q72470881
• Mol file: 14001-64-0.mol

Synonyms:14001-64-0;4,6-Dimethyl-2-(methylthio)pyrimidine;4,6-Dimethyl-2-methylmercapyrimidine;4,6-DIMETHYL-2-(METHYLSULFANYL)PYRIMIDINE;4,6-Dimethyl-2-methylsulfanyl-pyrimidine;4,6-Dimethyl-2-methylsulfanylpyrimidine;Pyrimidine, 4,6-dimethyl-2-(methylthio)-;MFCD00703249;4,6-Dimethyl-2-methylmercaptopyrimidine;4,6-dimethyl-2-methylthiopyrimidine;SCHEMBL1885381;AMY3827;DTXSID10492396;LMTOWNMJYBIWTI-UHFFFAOYSA-N;BCP21430;2-methylthio-4,6-dimethylpyrimidine;AC-869;4,6-dimethyl-2-methylthio-pyrimidine;AKOS000273590;SB57373;AS-64415;SY065906;A3021;CS-0045787;FT-0645808;D70511;EN300-7013699;J-514165;Z19655503

Chemical Property of 4,6-Dimethyl-2-(methylthio)pyrimidine

Chemical Property:

• Vapor Pressure: 0.024mmHg at 25°C
• Melting Point: 24 °C
• Refractive Index: 1.553
• Boiling Point: 257.02 °C at 760 mmHg
• PKA: 2.38±0.30(Predicted)
• Flash Point: 109.242 °C
• PSA: 51.08000
• Density: 1.116 g/cm³
• LogP: 1.81530
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.05646950
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

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

4,6-Dimethyl-2-(methylthio)pyrimidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC)C
• Uses: 4,6-Dimethyl-2-(methylthio)pyrimidine is a useful reactant for the synthesis of substituted heterocycles via nickel-catalyzed cross-coupling reaction.

Technology Process of 4,6-Dimethyl-2-(methylthio)pyrimidine

There total 13 articles about 4,6-Dimethyl-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: 97.0%

dimethyl sulfate (77-78-1) + 4,6-dimethyl-2-meraptopyrimidine (22325-27-5,131321-42-1) → 4,6-dimethyl-2-methylsulfanyl-pyrimidine (14001-64-0)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1.16667h;

Reference yield: 93.0%

carbonic acid dimethyl ester (616-38-6) + 4,6-dimethyl-2-meraptopyrimidine (22325-27-5,131321-42-1) → 4,6-dimethyl-2-methylsulfanyl-pyrimidine (14001-64-0)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; at 90 ℃; for 1h; under 760.051 Torr;

DOI:10.1080/00397911003707048

Reference yield: 89.7%

4,6-dimethyl-2-meraptopyrimidine (22325-27-5,131321-42-1) + methyl iodide (74-88-4) → 4,6-dimethyl-2-methylsulfanyl-pyrimidine (14001-64-0)

Guidance literature:

With sodium hydroxide; for 7h; Ambient temperature;

DOI:10.1248/cpb.39.2288

upstream raw materials:

4,6-dimethyl-2-meraptopyrimidine

methyl iodide

dimethyl sulfate

4,6-dimethyl-pyrimidine-2-thione

Downstream raw materials:

Pyrimethanil

4,6-dimethylpirimidin-2-one

2-hydrazino-4,6-dimethylpyrimidine

2-methylthio-(E,E)-4,6-bis(4'-methoxymethoxy-3'-N,N-dimethylaminostyryl)pyrimidine

Refernces

• 1、 Lee, Yun Suk,Kim, Hye Yun,Kim, Youngsoo,Seo, Jae Hong,Roh, Eun Joo,Han, Hogyu,Shin, Kye Jung. "Small molecules that protect against β-amyloid-induced cytotoxicity by inhibiting aggregation of β-amyloid". experimental part. p. 4921 - 4935. Retrieved 2012/10/08.
• 2、 Xie, Jiangang,Wu, Chengyao,Christopher, Branford White,Quan, Jing,Zhu, Limin. "Ionic liquids - Promoted S-methylation of thiols utilizing dimethyl carbonate". experimental part. p. 31 - 37. Retrieved 2011/04/22.