Methyl pyrimidine-2-carboxylate

Base Information

• Chemical Name: Methyl pyrimidine-2-carboxylate
• CAS No.: 34253-03-7
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 29335990
• European Community (EC) Number: 851-269-3
• DSSTox Substance ID: DTXSID70878879
• Nikkaji Number: J147.986E
• Wikidata: Q72496972
• Mol file: 34253-03-7.mol

Synonyms:methyl pyrimidine-2-carboxylate;34253-03-7;Methyl 2-pyrimidinecarboxylate;2-Pyrimidinecarboxylic acid, methyl ester;methyl 2-Pyrimidine Carboxylate;MFCD03426929;2-methoxycarbonylpyrimidine;methylpyrimidine-2-carboxylate;Methyl2-pyrimidinecarboxylate;2-Pyrimidinecarboxylic acid,methyl ester;SCHEMBL247859;DTXSID70878879;JOQJEWAXHQDQAG-UHFFFAOYSA-N;CS-M2690;BBL102053;STL555852;AKOS000279273;AC-6957;PB20045;PS-5574;SY006773;Methyl pyrimidine-2-carboxylate, AldrichCPR;4-Methyl-pyrimidine-2-carboxylic acid anion;A6027;AM20090524;FT-0603728;EN300-139232;AI-942/25121077;A1-01230;J-019523;J-522633

Chemical Property of Methyl pyrimidine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0207mmHg at 25°C
• Melting Point: 104-105 °C
• Refractive Index: 1.513
• Boiling Point: 251.3 °C at 760 mmHg
• PKA: -1.42±0.13(Predicted)
• Flash Point: 105.8 °C
• PSA: 52.08000
• Density: 1.213 g/cm³
• LogP: 0.26320
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

MethylPyrimidine-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC=CC=N1

Technology Process of Methyl pyrimidine-2-carboxylate

There total 2 articles about Methyl pyrimidine-2-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: 68.0%

methanol (67-56-1) + pyrimidine-2-carboxylic acid (31519-62-7) → pyrimidine-2-carboxylic acid methyl ester (34253-03-7)

Guidance literature:

With sulfuric acid; at 85 ℃; for 2h;

DOI:10.1039/d0nj02056g

Reference yield:

pyrimidine-2-carboxylic acid (31519-62-7) → pyrimidine-2-carboxylic acid methyl ester (34253-03-7)

Guidance literature:

Reference yield: 98.0%

pyrimidine-2-carboxylic acid (31519-62-7) + pyrimidine-2-carboxylic acid methyl ester (34253-03-7) → 2-pyrimidinecarboxylic acid hydrazide (87362-28-5)

Guidance literature:

pyrimidine-2-carboxylic acid; With thionyl chloride; In methanol; at 20 ℃; for 24h; Inert atmosphere;

pyrimidine-2-carboxylic acid methyl ester; With hydrazine hydrate; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2019.111742

upstream raw materials:

pyrimidine-2-carboxylic acid

methanol

Downstream raw materials:

pyrimidine-2-carbaldehyde

ethyl (E)-3-(pyrimidin-2-yl)propenoate

1-(3-benzylphenyl)-3-pyrimidin-2-yl-propane-1,3-dione

1-(3,5-bis-pyrazol-1-ylmethylphenyl)-3-pyrimidin-2-yl-propane-1,3-dione

Refernces