5-Chloro-2,4-dimethoxypyrimidine

Base Information

• Chemical Name: 5-Chloro-2,4-dimethoxypyrimidine
• CAS No.: 123551-49-5
• Molecular Formula: C6H7ClN2O2
• Molecular Weight: 174.587
• Hs Code.: 2933599590
• DSSTox Substance ID: DTXSID10558244
• Wikidata: Q82440468
• Mol file: 123551-49-5.mol

Synonyms:5-CHLORO-2,4-DIMETHOXYPYRIMIDINE;123551-49-5;MFCD13619877;Pyrimidine, 5-chloro-2,4-dimethoxy-;SCHEMBL8116805;DTXSID10558244;NEAICPKWHCRGIM-UHFFFAOYSA-N;YEA55149;AC2060;AKOS027423940;SB55872;CS-12150;SY038773;CS-0456816;J-004953

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

Chemical Property:

• PSA: 44.24000
• LogP: 1.14720
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=NC=C1Cl)OC

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

There total 4 articles about 5-Chloro-2,4-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: 91.0%

potassium (2,4-dimethoxypyrimidin-5-yl)trifluoroborate → 5-chloro-2,4-dimethoxypyrimidine (123551-49-5)

Guidance literature:

With trichloroisocyanuric acid; In water; ethyl acetate; at 20 ℃; for 2h; Open flask;

DOI:10.1021/jo201313a

Reference yield: 49.0%

5,5'-Mercuri-bis-(2,4-dimethoxypyrimidine) (123551-51-9) → 5-chloro-2,4-dimethoxypyrimidine (123551-49-5)

Guidance literature:

With sulfur monochloride; at 20 ℃; for 8h;

DOI:10.1007/BF00479920

Reference yield:

sodium methylate (124-41-4) + 2,4,5-trichloropyrimidine (5750-76-5) → 5-chloro-2,4-dimethoxypyrimidine (123551-49-5)

Guidance literature:

upstream raw materials:

methanol

sodium methylate

2,4,5-trichloropyrimidine

5,5'-Mercuri-bis-(2,4-dimethoxypyrimidine)

Downstream raw materials:

5-chlorouracil