4,5-Dimethoxypyrimidine

Base Information

• Chemical Name: 4,5-Dimethoxypyrimidine
• CAS No.: 71133-26-1
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.142
• DSSTox Substance ID: DTXSID80551368
• Nikkaji Number: J1.045.392E
• Wikidata: Q82430996
• Mol file: 71133-26-1.mol

Synonyms:4,5-Dimethoxypyrimidine;71133-26-1;Pyrimidine, 4,5-dimethoxy- (9CI);Pyrimidine,4,5-dimethoxy-;5,6-dime thoxy pyrimidine;SCHEMBL18838245;4,5-DIMETHOXY-PYRIMIDINE;DTXSID80551368;MFCD28162964;AKOS023556617;GS-5561;SB57258;CS-0045723;H10157;A914894

Chemical Property of 4,5-Dimethoxypyrimidine

Chemical Property:

• Boiling Point: 213.8±20.0 °C(Predicted)
• PKA: 3.08±0.16(Predicted)
• PSA: 44.24000
• Density: 1.131±0.06 g/cm3(Predicted)
• LogP: 0.49380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 99.7

Purity/Quality:

99%min ^*data from raw suppliers

4,5-Dimethoxypyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CN=CN=C1OC

Technology Process of 4,5-Dimethoxypyrimidine

There total 2 articles about 4,5-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: 99.0%

4-chloro-5,6-dimethoxypyrimidine (5193-88-4) → 4,5-dimethyoxypyrimidine (71133-26-1)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 3h; under 760.051 Torr;

Reference yield: 44.0%

5-methoxy-4(3H)-pyrimidinone (695-87-4,71133-22-7) → 4,5-dimethyoxypyrimidine (71133-26-1)

Guidance literature:

With trichlorophosphate; for 0.5h; Heating;

upstream raw materials:

5-methoxy-4(3H)-pyrimidinone

4-chloro-5,6-dimethoxypyrimidine

Refernces

• 1、 Yamanaka, Hiroshi,Sakamoto, Takao,Nishimura, Sumiko,Sagi, Mataichi. "Studies on Pyrimidine Derivatives. XXXIX. Site-Selectivity in the Reaction of 5-Substituted and 4,5-Disubstituted Pyrimidine N-Oxides with Trimethylsilyl Cynanide". . p. 3119 - 3126. Retrieved 2007/10/02.