4,6-Dimethoxypyrimidine

Base Information

• Chemical Name: 4,6-Dimethoxypyrimidine
• CAS No.: 5270-94-0
• Molecular Formula: C6H8 N2 O2
• Molecular Weight: 140.142
• Hs Code.: 2933599090
• NSC Number: 90418
• DSSTox Substance ID: DTXSID40293530
• Nikkaji Number: J1.780.915F
• Wikidata: Q72468521
• Mol file: 5270-94-0.mol

Synonyms:4,6-DIMETHOXYPYRIMIDINE;5270-94-0;Pyrimidine, 4,6-dimethoxy-;NSC90418;4,6-dimethoxy pyrimidine;VINYLTRICHLOROACETATE;NCIOpen2_001324;SCHEMBL1478401;DTXSID40293530;FPSPPRZKBUVEJQ-UHFFFAOYSA-N;MFCD00955844;NSC-90418;AKOS005138162;AM87033;CS-W016467;GS-6841;SB57431;AC-17062;AC-26629;A7702;D2959;FT-0635595;AN-584/41220073;W-202993

Chemical Property of 4,6-Dimethoxypyrimidine

Chemical Property:

• Appearance/Colour: Colorless to pale-yellow liquid
• Vapor Pressure: 0.0648mmHg at 25°C
• Melting Point: 33 °C
• Refractive Index: 1.49
• Boiling Point: 238.6 °C at 760 mmHg
• PKA: 1.48±0.17(Predicted)
• Flash Point: 87 °C
• PSA: 44.24000
• Density: 1.131 g/cm³
• LogP: 0.49380
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 89.7

Purity/Quality:

97% ^*data from raw suppliers

4,6-Dimethoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC=N1)OC

Technology Process of 4,6-Dimethoxypyrimidine

There total 4 articles about 4,6-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:

2-chloro-4,6-dimethoxypyrimidine (13223-25-1) → ethyl 4,6-dimethoxy-2-pyrimidinecarboxylate (128276-49-3) + 4,6-dimethoxypyrimidine (5270-94-0)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; carbon monoxide; sodium acetate; In ethanol; at 150 ℃; for 3h; under 1125.09 Torr;

DOI:10.1016/S0040-4020(98)01038-2

Reference yield:

4,6-dichloropyrimidine (1193-21-1) + sodium methylate (124-41-4) → 4,6-dimethoxypyrimidine (5270-94-0)

Guidance literature:

In methanol; at 20 - 65 ℃; for 24.08h;

Reference yield:

diimidate + ethereal ammonia + aqueous K2 CO3 + acetyl choloride + dimethyl-1,3-propanediimidate dihydrochloride + dichloromethane (75-09-2) + potassium carbonate (584-08-7) + formyl acetic anhydride (2258-42-6) → 4,6-dimethoxypyrimidine (5270-94-0)

Guidance literature:

With ammonia; sodium formate; In diethyl ether; water;

upstream raw materials:

2-chloro-4,6-dimethoxypyrimidine

dichloromethane

potassium carbonate

formyl acetic anhydride

Downstream raw materials:

(4,6-Dimethoxy-pyrimidin-5-yl)-phenyl-methanol

(4,6-Dimethoxy-pyrimidin-5-yl)-phenyl-methanone

5-Methyl-4,6-dimethoxy-pyrimidin

5-bromo-4,6-dimethoxypyrimidine