(2Z)-3,5-Dimethyl-N-phenyl-1,3-oxazolidin-2-imine

Base Information

• Chemical Name: (2Z)-3,5-Dimethyl-N-phenyl-1,3-oxazolidin-2-imine
• CAS No.: 80099-31-6
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• DSSTox Substance ID: DTXSID10527132
• Mol file: 80099-31-6.mol

Synonyms:80099-31-6;(2Z)-3,5-Dimethyl-N-phenyl-1,3-oxazolidin-2-imine;DTXSID10527132

Chemical Property of (2Z)-3,5-Dimethyl-N-phenyl-1,3-oxazolidin-2-imine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(C(=NC2=CC=CC=C2)O1)C

Technology Process of (2Z)-3,5-Dimethyl-N-phenyl-1,3-oxazolidin-2-imine

There total 3 articles about (2Z)-3,5-Dimethyl-N-phenyl-1,3-oxazolidin-2-imine 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: 90.0%

1-allyl-3-(4-methoxyphenyl)-1-methylurea (89607-23-8) → [3,5-Dimethyl-oxazolidin-(2Z)-ylidene]-phenyl-amine (80099-31-6)

Guidance literature:

With hydrogen bromide; at 100 ℃; for 5h; sealed tube;

Reference yield:

phenyl isocyanate (103-71-9) → [3,5-Dimethyl-oxazolidin-(2Z)-ylidene]-phenyl-amine (80099-31-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / petroleum ether / 1.5 h / 18 - 25 °C

2: 90 percent / 40percent aq. HBr / 5 h / 100 °C / sealed tube

With hydrogen bromide; In Petroleum ether;

Reference yield:

2-phenylimino-5-methyloxazolidine (27151-02-6) + dimethyl sulfate (77-78-1) → methyl-(5-methyl-4,5-dihydro-oxazol-2-yl)-phenyl-amine (80099-35-0) + [3,5-Dimethyl-oxazolidin-(2Z)-ylidene]-phenyl-amine (80099-31-6)

Guidance literature:

With sodium hydrogencarbonate; In water; 1.)30 deg C, 2 h 2.)50 deg C, 1 h;

upstream raw materials:

1-allyl-3-(4-methoxyphenyl)-1-methylurea

2-phenylimino-5-methyloxazolidine

dimethyl sulfate

phenyl isocyanate

Refernces