4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine

Base Information

• Chemical Name: 4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine
• CAS No.: 60331-15-9
• Molecular Formula: C6H6ClN3O3
• Molecular Weight: 203.58300
• DSSTox Substance ID: DTXSID10576246
• Wikidata: Q82465825
• Mol file: 60331-15-9.mol

Synonyms:4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine;60331-15-9;Pyrimidine, 4-chloro-6-methoxy-2-methyl-5-nitro-;SCHEMBL3102887;DTXSID10576246;XENBELIGWDKZOP-UHFFFAOYSA-N;AMY11640;AKOS027338251;GS-5557;SB60479;CS-0043154;2-methyl-4-methoxy-6-chloro-5-nitropyrimidine;H10257;2-methyl-4-methoxy-5-nitro-6-chloro-pyrimidine;A914383;Pyrimidine,4-chloro-6-methoxy-2-methyl-5-nitro-

Chemical Property of 4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine

Chemical Property:

• PSA: 80.83000
• LogP: 1.87840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 203.0097688
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC

Technology Process of 4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine

There total 1 articles about 4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine 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:

4,6-dichloro-2-methyl-5-nitropyrimidine (13162-43-1) + sodium methylate (124-41-4) → 2-methyl-4-methoxy-5-nitro-6-chloro-pyrimidine (60331-15-9)

Guidance literature:

DOI:10.1002/hlca.19580410635

Reference yield:

2-methyl-4-methoxy-5-nitro-6-chloro-pyrimidine (60331-15-9) → 4-methoxy-2-methyl-pyrimidin-5-ylamine (53135-45-8)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc-powder; H₂O

2: palladium/charcoal; aqueous ethanol / Hydrogenation_.unter Zusatz von MgO

With palladium on activated charcoal; ethanol; water; zinc;

DOI:10.1002/hlca.19580410635

Reference yield:

2-methyl-4-methoxy-5-nitro-6-chloro-pyrimidine (60331-15-9) → 5-amino-4-methoxy-6-chloro-2-methyl-pyrimidine (88474-31-1)

Guidance literature:

With water; zinc;

DOI:10.1002/hlca.19580410635

upstream raw materials:

4,6-dichloro-2-methyl-5-nitropyrimidine

sodium methylate

Downstream raw materials:

5-amino-4-methoxy-6-chloro-2-methyl-pyrimidine

4-methoxy-2-methyl-pyrimidin-5-ylamine

sulfanilic acid-(4-methoxy-2-methyl-pyrimidin-5-ylamide)

N-acetyl-sulfanilic acid-(4-methoxy-2-methyl-pyrimidin-5-ylamide)

Refernces