2,4,6-Trimethoxypyrimidine

Base Information

• Chemical Name: 2,4,6-Trimethoxypyrimidine
• CAS No.: 13106-85-9
• Molecular Formula: C7H10N2O3
• Molecular Weight: 170.168
• Hs Code.: 29335995
• European Community (EC) Number: 631-335-6
• DSSTox Substance ID: DTXSID80352453
• Nikkaji Number: J1.861.877J
• Wikidata: Q82129605
• Mol file: 13106-85-9.mol

Synonyms:2,4,6-Trimethoxypyrimidine;13106-85-9;Pyrimidine, 2,4,6-trimethoxy-;MFCD00829225;SCHEMBL439716;RJVAFLZWVUIBOU-UHFFFAOYSA-;DTXSID80352453;HMS1661D06;2,4,6-Trimethoxypyrimidine, 99%;STK257528;AKOS005423746;SB57349;AS-31467;SY052763;CS-0147628;FT-0636795;T2039;A806194;J-005933

Chemical Property of 2,4,6-Trimethoxypyrimidine

Chemical Property:

• Vapor Pressure: 0.00323mmHg at 25°C
• Melting Point: 51-54 °C(lit.)
• Refractive Index: 1.486
• Boiling Point: 292.3 °C at 760 mmHg
• Flash Point: 107.2 °C
• PSA: 53.47000
• Density: 1.15g/cm³
• LogP: 0.50240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-Trimethoxypyrimidine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)OC)OC
• Uses: 2,4,6-Trimethoxypyrimidine may be used as a model compound in a study to determine the qualitative composition of mixtures formed during the methylation of barbituric acid and its derivatives by diazomethane.

Technology Process of 2,4,6-Trimethoxypyrimidine

There total 9 articles about 2,4,6-Trimethoxypyrimidine 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%

2,4,6-trichloropyrimidine (3764-01-0) + sodium methylate (124-41-4) → 2,4,6-trimethoxypyrimidine (13106-85-9)

Guidance literature:

In toluene; for 12h; Reflux;

DOI:10.1016/j.tetlet.2010.07.139

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + BARBITURIC ACID (67-52-7,944357-77-1) → 2,4,6-trimethoxypyrimidine (13106-85-9) + 1-methyl-4,6-dimethoxy-2-oxo-1,2-dihydropyrimidine (52119-20-7) + 6-methoxy-1,3-dimethyluracil (4097-20-5) + 1-methyl-2,4-dimethoxy-6-oxo-1,6-dihydropyrimidine (36161-42-9) + 6-methoxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine (29458-38-6)

Guidance literature:

In methanol; at 20 ℃; Product distribution; further solvent, various ratio of educts;

DOI:10.1007/BF00479373

Reference yield:

2,4,6-trichloropyrimidine (3764-01-0) → 2,4,6-trimethoxypyrimidine (13106-85-9)

Guidance literature:

With sodium methylate; magnesium sulfate; In methanol;

upstream raw materials:

2,4,6-trichloropyrimidine

sodium methylate

diazomethane

BARBITURIC ACID

Downstream raw materials:

5-nitro-2,4,6-trimethoxypyrimidine

2,4,6-Trimethoxy-5-trimethylsilanyl-pyrimidine

Refernces

• 1、 Arai, Satoshi,Okamura, Toshiya,Takeoka, Shinji. "Synthesis and self-assembling behavior of a porphyrin bearing multiple meso-conjugated barbiturates". . p. 5177 - 5180. Retrieved 2010.
• 2、 -. "Fluorine-free titanocenes and the use thereof". . . Retrieved 2008/06/13.
• 3、 Krasnov, K. A.,Slesareva, V. I.,Studentsov, E. P.,Slesarev, V. I.. "REACTION OF BARBITURIC ACID AND ITS METHYL DERIVATIVES WITH DIAZOMETHAN IN ETHERS". . p. 1765 - 1769. Retrieved 2007/10/02.