66417-91-2

Basic information

• Product Name: 4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE
• Synonyms: 4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE
• CAS NO: 66417-91-2
• Molecular Formula: C11H9NO
• Molecular Weight: 171.2
• Mol File: 66417-91-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 114-117 °C(Press: 0.3-0.4 Torr)
• Appearance: /
• Density: 1.178 g/cm3
• PKA: -2.41±0.20(Predicted)
• CAS DataBase Reference: 4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE(66417-91-2)
• EPA Substance Registry System: 4,5-DIHYDRO-NAPHTHO[1,2-C]ISOXAZOLE(66417-91-2)

Safety Data

• Hazardous Substances Data: 66417-91-2(Hazardous Substances Data)

Upstream product

• 40685-04-9 1,2,3,4-tetrahydro-2-(hydroxymethylene)naphthalen-1-one 
• 529-34-0 3,4-dihydronaphthalene-1(2H)-one 
• 50493-08-8 2-formyl-1-tetralone 
• 64-19-7 acetic acid 
• 3349-64-2 1-tetralone oxime 
• 68-12-2 N,N-dimethyl-formamide 
• 3262-03-1 1-chloro-2-formyl-3,4-dihydronaphthalene 

Relevant articles and documents

Asymmetric Transfer Hydrogenation of α-Substituted-β-Keto Carbonitriles via Dynamic Kinetic Resolution

A catalytic protocol for the enantio- and diastereoselective reduction of α-substituted-β-keto carbonitriles is described. The reaction involves a DKR-ATH process with the simultaneous construction of β-hydroxy carbonitrile scaffolds with two contiguous stereogenic centers. A wide range of α-substituted-β-keto carbonitriles were obtained in high yields (94%-98%) and excellent enantio- and diastereoselectivities (up to >99% ee, up to >99:1 dr). The origin of the diastereoselectivity was also rationalized by DFT calculations. Furthermore, this methodology offers rapid access to the pharmaceutical intermediates of Ipenoxazone and Tapentadol.