2,4-Dimethoxypyrimidine

Base Information

• Chemical Name: 2,4-Dimethoxypyrimidine
• CAS No.: 3551-55-1
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 29335990
• UNII: 980K6DH82B
• DSSTox Substance ID: DTXSID10189017
• Nikkaji Number: J394.052G
• Wikidata: Q27272056
• Mol file: 3551-55-1.mol

Synonyms:2,4-Dimethoxypyrimidine;3551-55-1;Pyrimidine, 2,4-dimethoxy-;MFCD00056028;980K6DH82B;UNII-980K6DH82B;dimethoxypyrimidine;2,4-Dimethoxy-pyrimidine;SCHEMBL12015;AMY431;2,4-DI-O-METHYLURACIL;2,4-Dimethoxypyrimidine, 97%;KEVRHVMWBKFGLO-UHFFFAOYSA-;DTXSID10189017;AKOS015852211;CS-W016466;GS-6802;SB57242;AC-26648;SY017918;A6212;D2327;FT-0648550;EN300-85211;H10125;W-202456;Q27272056;InChI=1/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3;LD8

Chemical Property of 2,4-Dimethoxypyrimidine

Chemical Property:

• Appearance/Colour: Clear colorless to light brown liquid
• Vapor Pressure: 0.0552mmHg at 25°C
• Melting Point: 17 °C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 241.6 °C at 760 mmHg
• PKA: 2.69±0.20(Predicted)
• Flash Point: 88.2 °C
• PSA: 44.24000
• Density: 1.131 g/cm³
• LogP: 0.49380
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• 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: 99.7

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=NC=C1)OC
• Uses: 2,4-Dimethoxypyrimidine, is a versatile building block used in synthesis of various chemical compounds, such as derivatives of Cytidine (C998300).

Technology Process of 2,4-Dimethoxypyrimidine

There total 3 articles about 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: 70.0%

4-methoxy-2-pyrimidone (18002-25-0) + dimethyl sulfate (77-78-1) → 1-methyluracil (615-77-0) + 2,4-dimethoxypyrimidine (3551-55-1) + 1,3-dimethyluracil (874-14-6,156398-76-4) + 1-methyl-4-methoxy-2-oxo-1,2-dihydropyrimidine (7152-66-1)

Guidance literature:

4-methoxy-2-pyrimidone; With lithium hydride; In N,N-dimethyl-formamide; at 60 ℃; for 0.5h;

dimethyl sulfate; In N,N-dimethyl-formamide; at 60 ℃; for 48h;

DOI:10.1016/j.tet.2006.04.098

Reference yield:

sodium methylate (124-41-4) + 2,4-difluoropyrimidine (2802-61-1) → 2,4-dimethoxypyrimidine (3551-55-1) + 2-fluoro-4-methoxy-pyrimidine (39030-96-1)

Guidance literature:

In various solvent(s); at 0 ℃; for 5h; Yield given. Yields of byproduct given;

Reference yield:

2,6-Dichloropyrimidine (3934-20-1) + sodium methylate (124-41-4) → 2-chloro-4-methoxypyrimidine (22536-63-6) + 2,4-dimethoxypyrimidine (3551-55-1)

Guidance literature:

In methanol;

upstream raw materials:

2,6-Dichloropyrimidine

sodium methylate

2,4-difluoropyrimidine

4-methoxy-2-pyrimidone

Downstream raw materials:

4-methoxy-1-(tetra-O-acetyl-β-D-glucopyranosyl)-1H-pyrimidin-2-one

methyl 2,4-dimethoxypyrimidine-5-carboxylate

[4,5-dimethoxy-2-(1-methyl-2-phenyl-ethyl)-phenyl]-(2,4-dimethoxy-pyrimidin-5-yl)-methanol

6-iodo-2,4-dimethoxypyrimidine

Refernces

• 1、 Svirskaya, Polina I.,Yedidia, Varda,Leznoff, Clifford C.,Miller, Jack M.. "Fluorinated Heterocyclic Compounds. 2. 2,4-Difluoro and 4-Amino-2-fluoropyrimidines, Nucleoside Base Analogs". . p. 149 - 153. Retrieved 2007/10/02.