4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Base Information

• Chemical Name: 4,4-Dimethyl-2-vinyloxazol-5(4H)-one
• CAS No.: 29513-26-6
• Molecular Formula: C7H9NO2
• Molecular Weight: 139.154
• Hs Code.: 2934999090
• European Community (EC) Number: 678-135-5
• DSSTox Substance ID: DTXSID20431014
• Nikkaji Number: J256.533A
• Wikidata: Q82244787
• Mol file: 29513-26-6.mol

Synonyms:2-vinyl-4,4-dimethyl-5-oxazolone;VDM cpd

Chemical Property of 4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Chemical Property:

• Vapor Pressure: 2.835mmHg at 25°C
• Melting Point: 6℃
• Refractive Index: 1.499
• Boiling Point: 156.833 °C at 760 mmHg
• PKA: 2.97±0.40(Predicted)
• Flash Point: 49.107 °C
• PSA: 38.66000
• Density: 1.089 g/cm³
• LogP: 0.34190
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)OC(=N1)C=C)C
• Use Description: 4,4-DIMETHYL-2-VINYL-2-OXAZOLIN-5-ONE is a versatile chemical compound with applications in various fields. In the field of polymer chemistry, it serves as a valuable monomer for the synthesis of polymers and copolymers, such as poly(2-oxazoline)s, which have a range of applications in drug delivery, biomaterials, and coatings. Its role is pivotal in creating polymers with tunable properties, including biocompatibility and controlled drug release, making it valuable in the development of advanced materials for medical and pharmaceutical applications. Additionally, in the field of organic synthesis and catalysis, this compound can be employed as a chiral auxiliary, enabling the synthesis of enantiomerically pure molecules, particularly in the preparation of pharmaceutical intermediates and fine chemicals. Its multifaceted applications underscore its significance in materials science, drug delivery, and organic synthesis, ultimately contributing to advancements in healthcare, chemistry, and material engineering.

Technology Process of 4,4-Dimethyl-2-vinyloxazol-5(4H)-one

There total 2 articles about 4,4-Dimethyl-2-vinyloxazol-5(4H)-one 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%

2-methyl-2-(prop-2-enamido)propanoic acid (29513-50-6) → vinyl azlactone (29513-26-6)

Guidance literature:

With chloroformic acid ethyl ester;

Reference yield:

→ vinyl azlactone (29513-26-6)

Guidance literature:

Reference yield: 70.0%

1-[4-(2-aminoethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one (110186-64-6) + vinyl azlactone (29513-26-6) → N-[1-({2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl}carbamoyl)-1-methylethyl]prop-2-enamide

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

upstream raw materials:

2-methyl-2-(prop-2-enamido)propanoic acid

Downstream raw materials:

4,4-Dimethyl-2-(2-phenethyloxy-ethyl)-4H-oxazol-5-one