Ethyl 2-methylpyrimidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-methylpyrimidine-4-carboxylate
• CAS No.: 76240-14-7
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00505242
• Wikidata: Q72496987
• Mol file: 76240-14-7.mol

Synonyms:ethyl 2-methylpyrimidine-4-carboxylate;76240-14-7;2-Methyl-pyrimidine-4-carboxylic acid ethyl ester;ethoxycarbonyl(methyl)pyrimidine;DTXSID00505242;BDA24014;ethyl2-methylpyrimidine-4-carboxylate;MFCD11045650;AKOS006240682;AB62976;AS-43422;A9663;CS-0045880;FT-0761927;EN300-121562

Chemical Property of Ethyl 2-methylpyrimidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.039mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 239.794 °C at 760 mmHg
• Flash Point: 98.824 °C
• PSA: 52.08000
• Density: 1.134 g/cm³
• LogP: 0.96170
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

ethyl2-methylpyrimidine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC(=NC=C1)C

Technology Process of Ethyl 2-methylpyrimidine-4-carboxylate

There total 2 articles about Ethyl 2-methylpyrimidine-4-carboxylate 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: 65.0%

4-ethoxy-2-oxobut-3-enoic acid ethyl ester (76240-19-2) + acetamidine hydrochloride (124-42-5) → ethyl 2-methylpyrimidine-4-carboxylate (76240-14-7)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 100 ℃; for 48h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1016/j.tet.2019.05.005

Reference yield:

4-ethoxy-2-oxobut-3-enoic acid ethyl ester (76240-19-2) + acetamidine (143-37-3) → ethyl 2-methylpyrimidine-4-carboxylate (76240-14-7)

Guidance literature:

Reference yield: 71.0%

diphenylguanidine (102-06-7) + ethyl 2-methylpyrimidine-4-carboxylate (76240-14-7) → 4-<(NN'-diphenylamidino)carbamoyl>-2-methylpyrimidine (76240-11-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 6h; Heating;

upstream raw materials:

4-ethoxy-2-oxobut-3-enoic acid ethyl ester

acetamidine

acetamidine hydrochloride

Downstream raw materials:

4-<(NN'-diphenylamidino)carbamoyl>-2-methylpyrimidine

4-(chloromethyl)-2-methylpyrimidine