92501-94-5

Basic information

• Product Name: Methyl-ethyl-propyl-carbinyl-p-nitrobenzoat
• CAS NO: 92501-94-5
• Molecular Weight: 265.309
• Mol File: 92501-94-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Methyl-ethyl-propyl-carbinyl-p-nitrobenzoat(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl-ethyl-propyl-carbinyl-p-nitrobenzoat(92501-94-5)
• EPA Substance Registry System: Methyl-ethyl-propyl-carbinyl-p-nitrobenzoat(92501-94-5)

Safety Data

• Hazardous Substances Data: 92501-94-5(Hazardous Substances Data)

Upstream product

• 597-96-6 3-methyl-3-hexanol 
• 122-04-3 4-nitro-benzoyl chloride 

Relevant articles and documents

Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives

Tertiary alcohols, 3-phenylhexan-3-ol and 3-methylhexane-3-ol, and their derivatives were synthesized. The reaction conditions of the esterification of the tertiary alcohol with 2-NO2PhCO2Cl and 4-NO2PhCO2Cl were optimized. The absolute configuration of the derivative from (S)-3-phenylhexan-3-ol was identified by X-ray study and computational methods. Experimental results confirmed the computational specific rotation predictions by DFT-based and matrix methods.