Pyrimidine-2-carboxylic acid

Base Information

• Chemical Name: Pyrimidine-2-carboxylic acid
• CAS No.: 31519-62-7
• Molecular Formula: C5H4N2O2
• Molecular Weight: 124.099
• Hs Code.: 29335990
• European Community (EC) Number: 687-914-9
• ChEMBL ID: CHEMBL5184766
• DSSTox Substance ID: DTXSID00901503
• Nikkaji Number: J293.835I
• Mol file: 31519-62-7.mol

Synonyms:Pyrimidine-2-carboxylic acid;31519-62-7;2-Pyrimidinecarboxylic acid;pyrimidine carboxylic acid;MFCD00856161;2-Carboxypyrimidine;27457-25-6;2-carboxy-Pyrimidine;NoName_629;pyrimidine-carboxylic acid;2- pyrimidinecarboxylic acid;2-Pyrimidine-carboxylic acid;SCHEMBL108190;CHEMBL5184766;DTXSID00901503;ZFCHNZDUMIOWFV-UHFFFAOYSA-N;CS-D0763;Pyrimidine-2-carboxylic acid, 97%;AC-706;AKOS000279272;CCG-321209;PB18516;PS-3889;SB36540;PD020331;Pyrimidine-2-carboxylic acid, AldrichCPR;SY004101;AM20090451;FT-0600426;P2328;EN300-80230;W-202301;F2145-0274

Chemical Property of Pyrimidine-2-carboxylic acid

Chemical Property:

• Appearance/Colour: White to off-white solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 182-185°C
• Refractive Index: 1.579
• Boiling Point: 362.624 °C at 760 mmHg
• PKA: 3.08±0.10(Predicted)
• Flash Point: 173.109 °C
• PSA: 63.08000
• Density: 1.403 g/cm³
• LogP: 0.17480
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Soluble in ethanol, Dimethyl sulfoxide (DMSO), Dimethylformamide
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 124.027277375
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

99.9% ^*data from raw suppliers

Pyrimidine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)C(=O)O
• Description: 2-carboxy-Pyrimidine is a synthetic intermediate useful for pharmaceutical synthesis.
• Uses: 2-carboxy-Pyrimidine is a synthetic intermediate.

Technology Process of Pyrimidine-2-carboxylic acid

There total 6 articles about Pyrimidine-2-carboxylic acid 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: 90.0%

2-cyanopyrimidine (14080-23-0) → pyrimidine-2-carboxylic acid (31519-62-7)

Guidance literature:

With sodium hydroxide; at 65 ℃; for 4h;

DOI:10.1039/d0nj02056g

Reference yield:

2-(β-styryl)pyrimidine (35782-30-0) → pyrimidine-2-carboxylic acid (31519-62-7)

Guidance literature:

With potassium permanganate;

Reference yield:

2-methylpyrimidine (5053-43-0) → pyrimidine-2-carboxylic acid (31519-62-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium acetate; acetic acid; bromine

2: AgNO₃

With bromine; sodium acetate; silver nitrate; acetic acid;

upstream raw materials:

5-bromo-2-pyrimidinecarboxylic acid

2-(β-styryl)pyrimidine

2-methylpyrimidine

5-bromo-2-tribromomethyl-pyrimidine

Downstream raw materials:

pyrimidine-2-carboxylic acid chloride

Cu(μ-pyrimidine-2-carboxylato)N3

Cu(μ-pyrimidine-2-carboxylato)Cl

Cu(μ-pyrimidine-2-carboxylato)Br

Refernces

• 1、 Nagarkar, Sanjog S.,Anothumakkool, Bihag,Desai, Aamod V.,Shirolkar, Mandar M.,Kurungot, Sreekumar,Ghosh, Sujit K.. "High hydroxide conductivity in a chemically stable crystalline metal-organic framework containing a water-hydroxide supramolecular chain". . p. 8459 - 8462. Retrieved 2016.
• 2、 Zeng, Peng,Zheng, Ya,Chen, Shengtao,Liu, Haoran,Li, Renjie,Peng, Tianyou. "Asymmetric zinc porphyrin derivatives bearing three pseudo-pyrimidine: Meso -position substituents and their photosensitization for H2evolution". . p. 11237 - 11247. Retrieved 2020/08/21.