2-Methyl-5-phenylisoxazolidine

Base Information

• Chemical Name: 2-Methyl-5-phenylisoxazolidine
• CAS No.: 68408-65-1
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40453359
• Mol file: 68408-65-1.mol

Synonyms:2-Methyl-5-phenylisoxazolidine;68408-65-1;2-methyl-5-phenyl-1,2-oxazolidine;SCHEMBL8030852;DTXSID40453359;BOCOEDVUZOMDNN-UHFFFAOYSA-N;A915322

Chemical Property of 2-Methyl-5-phenylisoxazolidine

Chemical Property:

• PSA: 12.47000
• LogP: 1.93270
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-5-phenylisoxazolidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(O1)C2=CC=CC=C2

Technology Process of 2-Methyl-5-phenylisoxazolidine

There total 2 articles about 2-Methyl-5-phenylisoxazolidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-methylhydroxyamine hydrochloride (4229-44-1) → 2-methyl-5-phenyl-isoxazolidine (68408-65-1)

Guidance literature:

With sodium acetate; In ethanol; Ambient temperature;

DOI:10.1021/jo01319a038

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 2-methyl-5-phenyl-isoxazolidine (68408-65-1)

Guidance literature:

Reference yield:

2-methyl-5-phenyl-isoxazolidine (68408-65-1) → 3-methylamino-1-phenylpropan-1-ol (42142-52-9)

Guidance literature:

In acetic acid;

upstream raw materials:

styrene

formaldehyd

N-methylhydroxyamine hydrochloride

Downstream raw materials:

3-methylamino-1-phenylpropan-1-ol

Refernces

• 1、 -. "Preparation and uses of hydrocarbylnitrones". . . Retrieved 2008/06/13.