CAS 727675-29-8

2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol

Description:

2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol, with the CAS number 727675-29-8, is a chemical compound characterized by its oxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen atoms. This substance features a phenylethyl group, contributing to its potential biological activity and interactions. The presence of hydroxymethyl groups indicates that it may exhibit polar characteristics, influencing its solubility and reactivity in various solvents. The oxazole moiety is known for its role in medicinal chemistry, often associated with antimicrobial and anti-inflammatory properties. The compound's structural features suggest it may participate in hydrogen bonding, affecting its physical properties such as melting point and boiling point. Additionally, its unique combination of functional groups may allow for diverse applications in pharmaceuticals or as a building block in organic synthesis. However, specific data regarding its toxicity, stability, and detailed reactivity would require further investigation through experimental studies or literature review.

Formula: C₁₃H₁₇NO₃

InChI: InChI=1S/C13H17NO3/c15-8-13(9-16)10-17-12(14-13)7-6-11-4-2-1-3-5-11/h1-5,15-16H,6-10H2

InChI key: InChIKey=PNVVXUBQUOVXNS-UHFFFAOYSA-N

SMILES: C(O)C1(CO)N=C(CCC2=CC=CC=C2)OC1

Synonyms:

• 4,4(5H)-Oxazoledimethanol, 2-(2-phenylethyl)-
• 2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
• [2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole-4,4-diyl]dimethanol
• [4-(hydroxymethyl)-2-(2-phenylethyl)-5H-1,3-oxazol-4-yl]methanol
• (2-Phenethyl-4,5-dihydrooxazole-4,4-diyl)dimethanol
• MFCD05860809
• [4-methylol-2-(2-phenylethyl)-5H-oxazol-4-yl]methanol
• [4-(hydroxymethyl)-2-(2-phenylethyl)-5H-oxazol-4-yl]methanol