Pyrimidine-5-carboxylic acid

Base Information

• Chemical Name: Pyrimidine-5-carboxylic acid
• CAS No.: 4595-61-3
• Molecular Formula: C5H4N2O2
• Molecular Weight: 124.099
• Hs Code.: 29335990
• European Community (EC) Number: 224-994-2
• UNII: R9AW3LRY8R
• DSSTox Substance ID: DTXSID90196663
• Nikkaji Number: J293.833B
• Wikidata: Q72504843
• ChEMBL ID: CHEMBL247316
• Mol file: 4595-61-3.mol

Synonyms:Pyrimidine-5-carboxylic acid;4595-61-3;5-Pyrimidinecarboxylic acid;pyrimidine-5-carboxylicacid;5-pyrimidine carboxylic acid;MFCD00856162;CHEMBL247316;EINECS 224-994-2;5-carboxypyrimidine;R9AW3LRY8R;5-pyrimidyl carboxylic acid;pyrimidin-5-carboxylic acid;AA-516/30012043;SCHEMBL106575;DTXSID90196663;CS-B0029;BBL100207;BDBM50216520;CL1919;STL553779;AKOS000280257;AC-3156;CCG-211241;PB23195;PS-5404;pyrimidine-5-carboxylic acid, AldrichCPR;SY004100;AM20100174;FT-0635367;P1909;EN300-64297;A18797;W-106107;F2108-0288;Z336079948

Chemical Property of Pyrimidine-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000148mmHg at 25°C
• Melting Point: 259 °C
• Refractive Index: 1.578
• Boiling Point: 318.7 °C at 760 mmHg
• PKA: 2.74±0.10(Predicted)
• Flash Point: 146.5 °C
• PSA: 63.08000
• Density: 1.403 g/cm³
• LogP: 0.17480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.3
• 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% ^*data from raw suppliers

Pyrimidine-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=N1)C(=O)O
• Uses: Pyrimidine-5-carboxylic Acid is used in the preparation of heterocyclic compounds as an antiviral agent.

Technology Process of Pyrimidine-5-carboxylic acid

There total 11 articles about Pyrimidine-5-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: 85.0%

pyrimidine-5-carboxylic acid methyl ester (34253-01-5) → pyrimidine-5-carboxylic acid (4595-61-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/S0960-894X(00)00318-8

Reference yield: 80.0%

ethyl pyrimidine-5-carboxylate (40929-50-8) → pyrimidine-5-carboxylic acid (4595-61-3)

Guidance literature:

ethyl pyrimidine-5-carboxylate; With sodium hydroxide; water; at 20 ℃; for 0.1h;

With hydrogenchloride; In water;

Reference yield:

5-bromopyrimidine (4595-59-9) + carbon dioxide (124-38-9,18923-20-1) → pyrimidine-5-carboxylic acid (4595-61-3)

Guidance literature:

With n-butyllithium; Multistep reaction;

upstream raw materials:

5-methylpyrimidine

ethyl 2,4-dichloropyrimidine-5-carboxylate

5-bromopyrimidine

carbon dioxide

Downstream raw materials:

pyrimidine-5-carbonyl chloride

N-methoxy-N-methylpyrimidine-5-carboxamide

pyrimidine-5-carboxylic acid methyl ester

(R)-4-[1-({1-[(pyrimidine-5-carbonyl)amino]cyclopropanecarbonyl}amino)ethyl]benzoic acid methyl ester

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING". Page/Page column 27. . Retrieved 2010/09/18.
• 2、 -. "PYRROLOPYRIDAZINE DERIVATIVES". Page 253. . Retrieved 2008/06/13.