1393733-39-5

Basic information

• Product Name: 4-[(1S,2R)-1-hydroxy-2-methyloct-3-yn-1-yl]benzonitrile
• CAS NO: 1393733-39-5
• Molecular Weight: 241.333
• Mol File: 1393733-39-5.mol

Chemical Properties

• CAS DataBase Reference: 4-[(1S,2R)-1-hydroxy-2-methyloct-3-yn-1-yl]benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[(1S,2R)-1-hydroxy-2-methyloct-3-yn-1-yl]benzonitrile(1393733-39-5)
• EPA Substance Registry System: 4-[(1S,2R)-1-hydroxy-2-methyloct-3-yn-1-yl]benzonitrile(1393733-39-5)

Safety Data

• Hazardous Substances Data: 1393733-39-5(Hazardous Substances Data)

Upstream product

• 105-07-7 4-cyanobenzaldehyde 

Relevant articles and documents

Mechanistic insight into the anomalous syn-selectivity observed during the addition of allenylboronates to aromatic aldehydes

The reaction of enantioenriched allenylboronate 3a (98%ee) with benzaldehyde gave homopropargylic alcohol syn- and anti- 4b with anomalous syn addition selectivity (anti:syn = 29:71) and high ee (98% and 97%, respectively). The stereochemical outcome in terms of the absolute configuration shows that this reaction proceeds through a cyclic transition state. Density functional theoretical (DFT) calculations were carried out to elucidate the mechanism of this anomalous syn-selectivity.