1418760-06-1

Basic information

• Product Name: C₈H₁₀N₄O₂*C₁₀H₁₀O₄
• Synonyms: C₈H₁₀N₄O₂*C₁₀H₁₀O₄
• CAS NO: 1418760-06-1
• Molecular Weight: 388.38
• Mol File: 1418760-06-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₈H₁₀N₄O₂*C₁₀H₁₀O₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₈H₁₀N₄O₂*C₁₀H₁₀O₄(1418760-06-1)
• EPA Substance Registry System: C₈H₁₀N₄O₂*C₁₀H₁₀O₄(1418760-06-1)

Safety Data

• Hazardous Substances Data: 1418760-06-1(Hazardous Substances Data)

Upstream product

• 58-08-2 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 
• 70170-91-1 3-(4-formylphenoxy)propanoic acid 

Relevant articles and documents

Cocrystals of caffeine with formylphenoxyaliphatic acids: Syntheses, structural characterization, and biological activity

Three organic cocrystals namely, caffeine:p-formylphenoxyacetic acid [(caf)(p-fpaa)] (1) caffeine:o-formylphenoxyacetic acid monohydrate [(caf)(o-fpaa)]H2O (2) and caffeine:p-formylphenoxypropionic acid [(caf)(p-fppa)] (3) were synthesized and studied by FT-IR, NMR, and single crystal XRD studies. The crystal system of cocrystal [(caf)(p-fpaa)] (1) is monoclinic with space group P21/n and Z = 16, that of cocrystal [(caf)(o-fpaa)]H2O (2) is triclinic with space group P - 1 and Z = 2, and that of cocrystal [(caf)(p-fppa)] (3) is monoclinic with space group P21/c and Z = 4. The imidazole-carboxylic acid synthon is observed in all the three cocrystals. The intermolecular hydrogen bonds, OH···N and π-π interactions together play a major role in stabilizing the crystal structure of all the three cocrystals. The biological activities of crystals 1-3 were studied.