2-Isopropenyl-2-oxazoline

Base Information

• Chemical Name: 2-Isopropenyl-2-oxazoline
• CAS No.: 10471-78-0
• Deprecated CAS: 29765-25-1
• Molecular Formula: C6H9 N O
• Molecular Weight: 111.144
• Hs Code.: 2934999090
• European Community (EC) Number: 629-206-4
• UNII: 1222UHN97L
• DSSTox Substance ID: DTXSID8065086
• Nikkaji Number: J24.443K
• Wikidata: Q81991973
• Mol file: 10471-78-0.mol

Synonyms:2-Isopropenyl-2-oxazoline;10471-78-0;Oxazole, 4,5-dihydro-2-(1-methylethenyl)-;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;2-(1-Methylethenyl)-4,5-dihydrooxazole;1222UHN97L;4,5-dihydro-2-(prop-1-en-2-yl)oxazole;2-(PROP-1-EN-2-YL)-4,5-DIHYDRO-1,3-OXAZOLE;isopropenyloxazoline;2-isopropenyloxazoline;SCHEMBL16416;UNII-1222UHN97L;DTXSID8065086;2-Isopropenyl-2-oxazoline, 98%;2-Isopropenyl-4,5-dihydro-oxazole;AMY10787;2-OXAZOLINE, 2-ISOPROPENYL-;MFCD03427229;AKOS015912495;2-ISOPROPENYL-2-OXAZOLINE99+%;AS-30427;A852480

Chemical Property of 2-Isopropenyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 21.4mmHg at 25°C
• Melting Point: −47 °C(lit.)
• Refractive Index: n20/D 1.478(lit.)
• Boiling Point: 147 °C(lit.)
• PKA: 4.45±0.50(Predicted)
• Flash Point: 25.3°C
• PSA: 21.59000
• Density: 1.01g/cm³
• LogP: 0.42680
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Isopropenyl-2-oxazoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-23-36/37/38
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1=NCCO1
• Uses: 2-Isopropenyl-2-oxazoline is used to functionalize polypropylene to be used as compatibilizers for PP/(acrylonitrile-co-butadiene-co-acrylic acid) rubber (NBR) blends.

Technology Process of 2-Isopropenyl-2-oxazoline

There total 5 articles about 2-Isopropenyl-2-oxazoline 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:

N-(2-hydroxyethyl)methacrylamide (5238-56-2) → 2-(Propen-2-yl)-4,5-dihydro-1,3-oxazole (10471-78-0)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 5 ℃; for 24h;

DOI:10.1039/a905700e

Reference yield:

N-(2-hydroxyethyl)propionamide (18266-55-2) → 2-(Propen-2-yl)-4,5-dihydro-1,3-oxazole (10471-78-0)

Guidance literature:

Multi-step reaction with 3 steps

1: Al₂O₃ / 320 °C / 10 - 20 Torr

2: Et₃N

3: (dehydration)

With triethylamine; aluminum oxide;

Reference yield:

2-ethyl-4,5-dihydrooxazole (10431-98-8) → 2-(Propen-2-yl)-4,5-dihydro-1,3-oxazole (10471-78-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N

2: (dehydration)

With triethylamine;

upstream raw materials:

2-(4,5-dihydro-oxazol-2-yl)-propan-1-ol

N-(2-hydroxyethyl)methacrylamide

2-ethyl-4,5-dihydrooxazole

N-(2-hydroxyethyl)propionamide

Downstream raw materials:

C₁₂H₁₅NOS

Refernces