4-Chloro-2,5-dimethoxypyrimidine

Base Information

• Chemical Name: 4-Chloro-2,5-dimethoxypyrimidine
• CAS No.: 370103-25-6
• Molecular Formula: C6H7 Cl N2 O2
• Molecular Weight: 174.587
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70433104
• Wikidata: Q72518624
• Mol file: 370103-25-6.mol

Synonyms:4-chloro-2,5-dimethoxypyrimidine;370103-25-6;4-chloro-2,5-dimethoxy-pyrimidine;Pyrimidine, 4-chloro-2,5-dimethoxy-;SCHEMBL6623235;DTXSID70433104;CFOZTZJHBPCPLO-UHFFFAOYSA-N;BCP18956;VPA10325;MFCD00127837;AKOS015892447;SB57616;AC-27693;AM100733;DS-18413;A6371;CS-0045728;FT-0702209;C74910

Chemical Property of 4-Chloro-2,5-dimethoxypyrimidine

Chemical Property:

• Boiling Point: 277.5±43.0℃ (760 Torr)
• PKA: -0.05±0.29(Predicted)
• Flash Point: 121.6±28.2℃
• PSA: 44.24000
• Density: 1.285±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 1.14720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.0196052
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% min ^*data from raw suppliers

4-Chloro-2,5-dimethoxypyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CN=C(N=C1Cl)OC

Technology Process of 4-Chloro-2,5-dimethoxypyrimidine

There total 1 articles about 4-Chloro-2,5-dimethoxypyrimidine 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: 72.0%

2,5-dimethoxy-4-hydroxypyrimidine (370103-23-4) → 4-chloro-2,5-dimethoxypyrimidine (370103-25-6)

Guidance literature:

With sodium hydroxide; triethylamine; trichlorophosphate; In ice-water; toluene;

Reference yield:

4-chloro-2,5-dimethoxypyrimidine (370103-25-6) → 2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine (219715-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-methyl-pyrrolidin-2-one / 2.5 h / 50 °C

2.1: hydroxylamine hydrochloride; triethylamine / acetonitrile / 2 h / 45 °C

2.2: 4 h / 5.8 - 76 °C

With hydroxylamine hydrochloride; triethylamine; In 1-methyl-pyrrolidin-2-one; acetonitrile;

upstream raw materials:

2,5-dimethoxy-4-hydroxypyrimidine

Downstream raw materials:

2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine

Refernces