123641-47-4

Basic information

• Product Name: 5-Hydroxypentyl isobutyrate
• Synonyms: 5-Hydroxypentyl isobutyrate
• CAS NO: 123641-47-4
• Molecular Weight: 174.24
• Mol File: 123641-47-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5-Hydroxypentyl isobutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Hydroxypentyl isobutyrate(123641-47-4)
• EPA Substance Registry System: 5-Hydroxypentyl isobutyrate(123641-47-4)

Safety Data

• Hazardous Substances Data: 123641-47-4(Hazardous Substances Data)

Upstream product

• 111-29-5 1 ,5-pentanediol 
• 60-12-8 2-phenylethanol 
• 97-72-3 2-Methylpropionic anhydride 
• 107-21-1 ethylene glycol 

Relevant articles and documents

Insights into the Molecular Recognition Process in Organocatalytic Chemoselective Monoacylation of 1,5-Pentanediol

Monoacylation of long-chain linear diols often encounters difficulties associated with unavoidable overacylation affording the diacylate. However, several C1- and C2-symmetrical pyrrolidinopyridine (PPY) catalysts were found to effectively promote the chemoselective monoacylation of 1,5-pentanediol. The effects of catalyst structure on the performance for the monoacylation were investigated. The amide carbonyl group(s) in the pyrrolidine ring in both C1- and C2-symmetrical catalysts was(were) suggested to play the key role in selective monoacylation. On the other hand, the indolyl NH group in the amide side chain of the catalysts was found to be critically important for further increasing the chemoselectivity of monoacylation only when the catalyst has a C2-symmetrical structure. The effects of the catalyst structure on the chemoselective monoacylation were elucidated by DFT calculations, and the origin of the precise molecular recognition for 1,5-pentanediol by the catalysts and transition state (TS) stabilization effects by these functionalities were disclosed.