4-Chloro-2-(methoxymethyl)-6-methylpyrimidine

Base Information

• Chemical Name: 4-Chloro-2-(methoxymethyl)-6-methylpyrimidine
• CAS No.: 3122-80-3
• Molecular Formula: C7H9ClN2O
• Molecular Weight: 172.61200
• DSSTox Substance ID: DTXSID101252792
• Mol file: 3122-80-3.mol

Synonyms:4-chloro-2-(methoxymethyl)-6-methylpyrimidine;3122-80-3;SCHEMBL18614528;DTXSID101252792;MFCD11043806;AKOS010815880;SB57812;BS-16503;CS-0162999;EN300-87284;D81007;Z825741996

Chemical Property of 4-Chloro-2-(methoxymethyl)-6-methylpyrimidine

Chemical Property:

• PSA: 35.01000
• LogP: 1.58480
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.0403406
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-2-(methoxymethyl)-6-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)COC)Cl

Technology Process of 4-Chloro-2-(methoxymethyl)-6-methylpyrimidine

There total 3 articles about 4-Chloro-2-(methoxymethyl)-6-methylpyrimidine 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%

2-(methoxymethyl)-6-methylpyrimidin-4(3H)-one (3122-74-5) → 4-chloro-2-(methoxymethyl)-6-methylpyrimidine (3122-80-3)

Guidance literature:

With trichlorophosphate; for 1h; Heating;

Reference yield:

3-chloroacetylaminocrotonamide (23861-97-4) → 4-chloro-2-(methoxymethyl)-6-methylpyrimidine (3122-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / Na / 3 h / Heating

2: 92 percent / POCl₃ / 1 h / Heating

With sodium; trichlorophosphate;

Reference yield:

→ 4-chloro-2-(methoxymethyl)-6-methylpyrimidine (3122-80-3)

Guidance literature:

Keton, POCl3;

upstream raw materials:

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

3-chloroacetylaminocrotonamide

Downstream raw materials:

2-methoxymethyl-4-methylpyrimidine