4-Ethoxy-2-phenylpyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 4-Ethoxy-2-phenylpyrimidine-5-carboxylic acid
• CAS No.: 136326-10-8
• Molecular Formula: C₁₃H₁₂N₂O₃
• Molecular Weight: 244.25
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10376920
• Wikidata: Q82165852
• Mol file: 136326-10-8.mol

Synonyms:136326-10-8;4-ethoxy-2-phenylpyrimidine-5-carboxylic acid;4-Ethoxy-2-phenyl-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 4-ethoxy-2-phenyl-;4-Ethoxy-2-phenylpyrimidine-5-carboxylicacid;DTXSID10376920;MFCD06797376;AKOS005069347;SB58262;CS-0337597;FT-0679983;5-Pyrimidinecarboxylicacid,4-ethoxy-2-phenyl-;10Y-0731;J-515264;4-ethoxy-2-phenyl-5-pyrimidinecarboxylic acid, AldrichCPR

Chemical Property of 4-Ethoxy-2-phenylpyrimidine-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.9E-05mmHg at 25°C
• Melting Point: 181-183oC
• Boiling Point: 332.2°Cat760mmHg
• PKA: 2.74±0.10(Predicted)
• Flash Point: 154.7°C
• PSA: 72.31000
• Density: 1.257g/cm³
• LogP: 2.24050
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.08479225
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

4-Ethoxy-2-phenyl-5-pyrimidinecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2

Technology Process of 4-Ethoxy-2-phenylpyrimidine-5-carboxylic acid

There total 1 articles about 4-Ethoxy-2-phenylpyrimidine-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:

ethyl iodide (75-03-6) → 4-ethoxy-2-phenyl-pyrimidine-5-carboxylic acid (136326-10-8)

Guidance literature:

man verseift den erhaltenen Ester mit alkoh.Kalilauge und trennt das entstandene Produkt von den Nebenprodukt durch Loesen in siedendem Alkohol;

Reference yield:

4-ethoxy-2-phenyl-pyrimidine-5-carboxylic acid (136326-10-8) + 2-(4-piperidinyl)-1H-benzimidazole (38385-95-4) → C25H25N5O2 (1159096-79-3)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane;

DOI:10.1016/j.bmcl.2009.02.126

upstream raw materials:

ethyl iodide

Downstream raw materials:

C₂₅H₂₅N₅O₂