3-[[2-Methyl-5-oxooxazol-4(5H)-ylidene]methyl]phenyl Acetate

Base Information

• Chemical Name: 3-[[2-Methyl-5-oxooxazol-4(5H)-ylidene]methyl]phenyl Acetate
• CAS No.: 41888-66-8
• Molecular Formula: C13H11NO4
• Molecular Weight: 245.235
• Hs Code.: 2934999090
• European Community (EC) Number: 653-063-7
• Mol file: 41888-66-8.mol

Synonyms:41888-66-8;3-[(2-methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate;3-[[2-Methyl-5-oxooxazol-4(5H)-ylidene]methyl]phenyl Acetate;SCHEMBL9135077;AC6109;MFCD02292927;SY225439

Chemical Property of 3-[[2-Methyl-5-oxooxazol-4(5H)-ylidene]methyl]phenyl Acetate

Chemical Property:

• Vapor Pressure: 6.42E-06mmHg at 25°C
• Boiling Point: 378.1°C at 760 mmHg
• Flash Point: 176.6°C
• PSA: 64.96000
• Density: 1.25g/cm³
• LogP: 1.36360
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.06880783
• Heavy Atom Count: 18
• Complexity: 425

Purity/Quality:

97% ^*data from raw suppliers

4-(3-ACETOXYBENZYLIDENE)-2-METHYL-2-OXAZOLIN-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC2=CC(=CC=C2)OC(=O)C)C(=O)O1

Technology Process of 3-[[2-Methyl-5-oxooxazol-4(5H)-ylidene]methyl]phenyl Acetate

There total 3 articles about 3-[[2-Methyl-5-oxooxazol-4(5H)-ylidene]methyl]phenyl Acetate 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: 80.0%

acetic anhydride (108-24-7) + meta-hydroxybenzaldehyde (100-83-4) + N-acetylglycine (543-24-8) → 4-(3-acetoxybenzylidene)-2-methyl-4H-oxazol-5-one (41888-66-8)

Guidance literature:

With sodium acetate; at 120 ℃; for 5h;

DOI:10.1055/s-1992-26228

Reference yield: 48.0%

sodium acetate (127-09-3) + meta-hydroxybenzaldehyde (100-83-4) + N-acetylglycine (543-24-8) → 4-(3-acetoxybenzylidene)-2-methyl-4H-oxazol-5-one (41888-66-8)

Guidance literature:

In acetic anhydride; at 120 ℃; for 5h; microwave irradiation;

DOI:10.3987/COM-04-10193

Reference yield:

acetic anhydride (108-24-7) + meta-hydroxybenzaldehyde (100-83-4) + N-acetylglycine (543-24-8) → 4-(3-acetoxy-benzylidene)-2-methyl-4H-oxazol-5-one (41888-66-8)

Guidance literature:

With triethylamine;

DOI:10.1039/jr9500001534

upstream raw materials:

acetic anhydride

meta-hydroxybenzaldehyde

N-acetylglycine

sodium acetate

Downstream raw materials:

D/L-3-hydroxy-phenylalanine

3-hydroxy-α-oxo-benzenepropanoic acid

α-acetylamino-3-hydroxy-cinnamic acid

m-hydroxy-D-phenylalanine