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

Base Information

• Chemical Name: 4-Chloro-6-methoxy-2-(methylthio)pyrimidine
• CAS No.: 89466-42-2
• Molecular Formula: C6H7ClN2OS
• Molecular Weight: 190.653
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID90431541
• Nikkaji Number: J3.059.008B
• Wikidata: Q72453238
• Mol file: 89466-42-2.mol

Synonyms:4-Chloro-6-methoxy-2-(methylthio)pyrimidine;89466-42-2;4-Chloro-6-methoxy-2-methylsulfanylpyrimidine;4-chloro-6-methoxy-2-methylsulfanyl-pyrimidine;4-CHLORO-6-METHOXY-2-(METHYLSULFANYL)PYRIMIDINE;Allyl2-bromopropionate;SCHEMBL991954;4-Chloro-6-methoxy-2-(methylthio)pyrimidine ,98%;DTXSID90431541;FNYLFWGITLMOHA-UHFFFAOYSA-N;MFCD10574952;AKOS006302468;GS-6334;SB57265;AM101517;2-Methylthio-4-methoxy-6-chloropyrimidine;CS-0043042;FT-0687950;H10323;4-chloro-6-(methyloxy)-2-(methylthio)pyrimidine;EN300-4292696;4-Chloro-6-methoxy-2-(methylthio)pyrimidine,98%;A861176;J-515102

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

Chemical Property:

• Melting Point: 38-39ºC
• Refractive Index: 1.
• Boiling Point: 288ºC
• PKA: -2.26±0.30(Predicted)
• Flash Point: 128ºC
• PSA: 60.31000
• Density: 1.36
• LogP: 1.86050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.9967617
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-6-methoxy-2-(methylthio)pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)SC)Cl

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

There total 5 articles about 4-Chloro-6-methoxy-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: 92.0%

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) + sodium methylate (124-41-4) → 4-chloro-6-methoxy-2-(methylsulfanyl)pyrimidine (89466-42-2)

Guidance literature:

In methanol; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.5b00279

Reference yield: 91.0%

methanol (67-56-1) + 4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) → 4-chloro-6-methoxy-2-(methylsulfanyl)pyrimidine (89466-42-2)

Guidance literature:

With sodium hydride; In mineral oil; at 0 - 20 ℃;

DOI:10.3987/COM-14-13038

Reference yield:

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) + sodium methoxide methanol → 4-chloro-6-methoxy-2-(methylsulfanyl)pyrimidine (89466-42-2)

Guidance literature:

In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

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

sodium methylate

methanol

4,6-dihydroxy-2-methylmercaptopyrimidine

Downstream raw materials:

4-chloro-6-methoxy-2-(methylsulfonyl)pyrimidine

3-(6-methoxy-2-(methylthio)pyrimidin-4-yl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

3-(6-methoxy-2-(methylsulfonyl)pyrimidin-4-yl)-1-(phenyl sulfonyl)-1H-pyrrolo[2,3-b]pyridine

N-cyclohexyl-4-methoxy-6-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine