2-Imino-4-methyl-5-phenyloxazoline

Base Information

• Chemical Name: 2-Imino-4-methyl-5-phenyloxazoline
• CAS No.: 33124-11-7
• Molecular Formula: C₁₀H₁₀N₂O
• Molecular Weight: 174.202
• DSSTox Substance ID: DTXSID30954744
• Mol file: 33124-11-7.mol

Synonyms:2-Imino-4-methyl-5-phenyloxazoline;4-methyl-5-phenyl-5H-1,3-oxazol-2-imine;4-Methyl-5-phenyl-2-oxazolamine;BRN 0880747;2-Oxazolamine, 4-methyl-5-phenyl-;DTXSID30954744;4-Methyl-5-phenyl-1,3-oxazol-2(5H)-imine

Chemical Property of 2-Imino-4-methyl-5-phenyloxazoline

Chemical Property:

• Vapor Pressure: 0.0364mmHg at 25°C
• Boiling Point: 249.3°Cat760mmHg
• Flash Point: 104.6°C
• PSA: 45.44000
• Density: 1.21g/cm³
• LogP: 1.68890
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 241

Purity/Quality:

4-Methyl-5-phenyl-1,3-oxazol-2-amine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=N)OC1C2=CC=CC=C2

Technology Process of 2-Imino-4-methyl-5-phenyloxazoline

There total 4 articles about 2-Imino-4-methyl-5-phenyloxazoline 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:

3-acetyl-2-acetylimino-4-methyl-5-phenyl-2,3-dihydro-oxazole (54734-75-7) → 4-methyl-5-phenyl-oxazol-2-ylamine (33124-11-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 4h; Heating;

Reference yield:

bromocyane (506-68-3) + 2-amino-1-phenylpropan-1-one hydrochloride (16735-19-6) → 4-methyl-5-phenyl-oxazol-2-ylamine (33124-11-7)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield:

CYANAMID (420-04-2) + (RS)-1-hydroxy-1-phenylpropan-2-one (90-63-1) → 4-methyl-5-phenyl-oxazol-2-ylamine (33124-11-7)

Guidance literature:

Multistep reaction; (i) aq.NH₃, MeOH, (ii) /BRN= 1732569/, H₃BO₃;

upstream raw materials:

CYANAMID

(RS)-1-hydroxy-1-phenylpropan-2-one

3-acetyl-2-acetylimino-4-methyl-5-phenyl-2,3-dihydro-oxazole

bromocyane

Downstream raw materials:

N-(4-methyl-5-phenyl-oxazol-2-yl)-acetamide

3-acetyl-4-methyl-5-phenyl-3H-oxazol-2-ylideneamine

Refernces