Ethyl pyrimidine-4-carboxylate

Base Information

• Chemical Name: Ethyl pyrimidine-4-carboxylate
• CAS No.: 62846-82-6
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.153
• Hs Code.: 2933599090
• European Community (EC) Number: 811-040-0
• DSSTox Substance ID: DTXSID30545651
• Nikkaji Number: J2.858.163G
• Wikidata: Q72477121
• Mol file: 62846-82-6.mol

Synonyms:Ethyl 4-pyrimidinecarboxylate;62846-82-6;ETHYL PYRIMIDINE-4-CARBOXYLATE;ethyl4-pyrimidinecarboxylate;4-Pyrimidinecarboxylic acid, ethyl ester;Pyrimidine-4-carboxylic acid ethyl ester;MFCD09832999;4-ethoxycarbonylpyrimidine;SCHEMBL917137;DTXSID30545651;DWRWSNAREGLUHZ-UHFFFAOYSA-N;AMY11372;AKOS006327275;AB52728;CS-W003653;pyrimidine-6-carboxylic acid ethyl ester;AC-26659;SY005565;TS-02020;A8680;E0881;EN300-685308;J-521330;2-ethylpyrimidine-4-carboxylate

Chemical Property of Ethyl pyrimidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.0383mmHg at 25°C
• Melting Point: 37.0 to 41.0 °C
• Refractive Index: 1.508
• Boiling Point: 240.3 °C at 760 mmHg
• PKA: -0.76±0.10(Predicted)
• Flash Point: 99.1 °C
• PSA: 52.08000
• Density: 1.167 g/cm³
• LogP: 0.65330
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

Ethyl4-Pyrimidinecarboxylate ^*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

Technology Process of Ethyl pyrimidine-4-carboxylate

There total 1 articles about Ethyl pyrimidine-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:

pyrimidine-2-carboxylic acid (31519-62-7) + ethanol (64-17-5) → ethyl pyrimidine-4-carboxylate (62846-82-6)

Guidance literature:

With sulfuric acid;

Reference yield: 95.0%

ethyl pyrimidine-4-carboxylate (62846-82-6) → pyrimidine-4-carboxamide (28648-86-4)

Guidance literature:

With ammonia; magnesium methanolate; In methanol; at 80 ℃; for 24h; under 1275.13 Torr; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.05.075

Reference yield: 80.0%

ethyl pyrimidine-4-carboxylate (62846-82-6) + phenylmagnesium chloride (100-59-4) → phenyl(4-pyrimidinyl)methanone (68027-80-5)

Guidance literature:

In tetrahydrofuran; -80 deg C to rt;

DOI:10.3987/COM-95-7248

upstream raw materials:

pyrimidine-2-carboxylic acid

ethanol

Downstream raw materials:

pyrimidine-4-carboxamide

phenyl(4-pyrimidinyl)methanone

N-(3-methyl-benzylidene)-N'-(7-morpholin-4-yl-2-pyrimidin-4-yl-pyrazolo[1,5-a]pyrimidin-5-yl)hydrazine

pyrimidine-4-carboxylic acid hydrazide