5961-33-1

Basic information

• Product Name: 3-Methyl-3-phenyl-azetidine
• Synonyms: 3-Methyl-3-phenyl-azetidine;L-1834
• CAS NO: 5961-33-1
• Molecular Formula: C₁₀H₁₃N
• Molecular Weight: 147.21692
• Product Categories: Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 5961-33-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 229°C at 760 mmHg
• Flash Point: 92.2°C
• Appearance: /
• Density: 0.983g/cm³
• Vapor Pressure: 0.0712mmHg at 25°C
• Refractive Index: 1.53
• PKA: 10.68±0.40(Predicted)
• CAS DataBase Reference: 3-Methyl-3-phenyl-azetidine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-3-phenyl-azetidine(5961-33-1)
• EPA Substance Registry System: 3-Methyl-3-phenyl-azetidine(5961-33-1)

Safety Data

• Hazardous Substances Data: 5961-33-1(Hazardous Substances Data)

Usage

Uses

A chemical constituent of the essential oils of Pteroxygonum giraldii and Polygonum amplexicaule. It showed slight sympathomimetic effects in animals during pharmacology studies.

InChI:InChI=1/C10H13N/c1-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3

Upstream product

• 1823-91-2 1-phenylethyl cyanide 
• 27746-76-5 α-hydroxymethyl-α-methylbenzenacetonitrile 
• 157736-54-4 α-<<4-methylphenylsulfonyl>oxy>methyl-α-methylbenzenacetonitrile 

Relevant articles and documents

A NOVEL SYNTHESIS OF 3,3-(SPIRO)SUBSTITUTED AZETIDINES

A smooth and efficient new synthesis for 3,3-disubstituted azetidines, starting from readily available nitriles, was estabilished: α-hydroxymethylation of the starting materials, followed by O-tosylation and LiAlH4-reduction of the key intermediates thus obtained, led - via spontaneous cyclization of the intermediate amino derivatives - to 3,3-disubstituted azetidines.Scope and limitations of this new method were studied with respect to generalized applicability: the target compounds were accessible in good yields for a variety of starting materials (cyclic and acyclic di(hetero)aryl, (hetero)arylalkyl, dialkyl, as well as basic moieties).The products thus obtained may be of interest for ensuing conversions due to their unblocked nitrogen.