2-Methyl-2-oxazoline

Base Information

• Chemical Name: 2-Methyl-2-oxazoline
• CAS No.: 1120-64-5
• Molecular Formula: C4H7NO
• Molecular Weight: 85.1057
• Hs Code.: 29339900
• European Community (EC) Number: 214-316-3
• NSC Number: 43141
• DSSTox Substance ID: DTXSID40870845
• Nikkaji Number: J24.397C
• Wikidata: Q27124115
• Metabolomics Workbench ID: 58668
• Mol file: 1120-64-5.mol

Synonyms:2-methyl-2-oxazoline

Chemical Property of 2-Methyl-2-oxazoline

Chemical Property:

• Appearance/Colour: clear colourless to very faint yellow liquid
• Vapor Pressure: 28.4mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 110 °C at 760 mmHg
• PKA: 5.77±0.50(Predicted)
• Flash Point: 20 °C
• PSA: 21.59000
• Density: 1.08 g/cm³
• LogP: -0.12940
• Storage Temp.: Flammables area
• Water Solubility.: Soluble in water (7051 mg/L at 25°C).
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 85.052763847
• Heavy Atom Count: 6
• Complexity: 77.6

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC1=NCCO1
• Uses: 2-Methyl-2-oxazoline is used in cationic polymerization of a series of linear 2-alkyl-2-oxazolines under microwave irradiation. It undergoes polymerization with 2-butyl-2-oxazoline to form poly(2-oxazoline) block copolymer. It undergoes cationic ring-opening polymerization with 2-(dec-9-enyl)-2-oxazoline to yield copoly(2-oxazoline)s. It react with N'-phenyl-benzohydrazonoyl chloride to get 4-(2-hydroxyethyl)-5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium chloride.

Technology Process of 2-Methyl-2-oxazoline

There total 14 articles about 2-Methyl-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: 94.0%

ethanolamine (141-43-5) + ethyl acetate (141-78-6) → 2-methyl-4,5-dihydro-1,3-oxazole (1120-64-5,26375-28-0)

Guidance literature:

ethanolamine; ethyl acetate; for 3 - 4h; Heating;

With boric acid; In toluene; at 130 ℃;

With calcium oxide; at 280 ℃; for 3h;

DOI:10.1016/j.tetlet.2010.07.167

Reference yield: 75.0%

N-(2-chloro-ethyl)-acetamide (7355-58-0) → 2-methyl-4,5-dihydro-1,3-oxazole (1120-64-5,26375-28-0)

Guidance literature:

With sodium hydride; In various solvent(s); below 50 deg C;

Reference yield: 73.0%

sulfolane (126-33-0,208252-54-4) + N-(2-chloro-ethyl)-acetamide (7355-58-0) → 2-methyl-4,5-dihydro-1,3-oxazole (1120-64-5,26375-28-0)

Guidance literature:

upstream raw materials:

2-acetylaminoethanol

2-bromoethylamine hydrobromide

acetic anhydride

ethanolamine

Downstream raw materials:

2-<(4-hydroxyphenyl)thio>ethylamine hydrochloride

N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]aniline

Refernces

• 1、 Atri, Shalu,Bendi, Anjaneyulu,Rao, G. B. Dharma,Raza, Mohd Jamshaiya,Sharma, Nutan. "Ultrasound-Accelerated, Concise, and Highly Efficient Synthesis of 2-Oxazoline Derivatives Using Heterogenous Calcium Ferrite Nanoparticles and Their DFT Studies". . . Retrieved 2021/11/12.
• 2、 Ilkgul, Baris,Gunes, Deniz,Sirkecioglu, Okan,Bicak, Niyazi. "Synthesis of 2-oxazolines via boron esters of N-(2-hydroxyethyl) amides". experimental part. p. 5313 - 5315. Retrieved 2010/11/03.