2-Ethyl-4,4-dimethyl-2-oxazoline

Base Information

• Chemical Name: 2-Ethyl-4,4-dimethyl-2-oxazoline
• CAS No.: 5146-88-3
• Molecular Formula: C7H13NO
• Molecular Weight: 127.186
• Hs Code.: 2934999090
• European Community (EC) Number: 225-919-6
• NSC Number: 308784
• UNII: QPA826ERX7
• DSSTox Substance ID: DTXSID30199436
• Nikkaji Number: J297.912H
• Wikidata: Q83072358
• Mol file: 5146-88-3.mol

Synonyms:5146-88-3;2-ETHYL-4,4-DIMETHYL-2-OXAZOLINE;2-Ethyl-4,4-dimethyl-4,5-dihydrooxazole;2-ethyl-4,4-dimethyl-5H-1,3-oxazole;2-Ethyl-4,5-dihydro-4,4-dimethyloxazole;4,4-dimethyl-2-ethyl-2-oxazoline;oxazole, 2-ethyl-4,5-dihydro-4,4-dimethyl-;EINECS 225-919-6;NSC-308784;NSC308784;QPA826ERX7;2-ethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole;SCHEMBL6669972;FGURMUFTHTVTAL-UHFFFAOYSA-;DTXSID30199436;MFCD00014506;AKOS006230380;2-Oxazoline, 2-ethyl-4,4-dimethyl-;NSC 308784;FT-0612246

Chemical Property of 2-Ethyl-4,4-dimethyl-2-oxazoline

Chemical Property:

• Vapor Pressure: 6.93mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 142.678 °C at 760 mmHg
• PKA: 5.78±0.70(Predicted)
• Flash Point: 35.895 °C
• PSA: 21.59000
• Density: 0.975 g/cm³
• LogP: 1.03930
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYL-4,4-DIMETHYL-2-OXAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(CO1)(C)C

Technology Process of 2-Ethyl-4,4-dimethyl-2-oxazoline

There total 5 articles about 2-Ethyl-4,4-dimethyl-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: 80.0%

2-Amino-2-methyl-1-propanol (124-68-5) + propionic acid (802294-64-0,79-09-4) → 2-ethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole (5146-88-3)

Guidance literature:

for 4h; Reflux;

DOI:10.1002/rcm.6182

Reference yield:

N-benzylidene tert-butylamine (6852-58-0) + 5-ethyl-2,2-dimethyl-4,6-dioxa-1-aza-bicyclo[3.1.0]hexane (1262887-07-9) → 2-ethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole (5146-88-3) + N-tert-butyl-α-phenylnitrone (3376-24-7,68315-30-0)

Guidance literature:

In toluene; Reflux;

DOI:10.1055/s-0030-1258819

Reference yield:

2-methyl-2-propionylamino-propan-1-ol (70348-93-5) → 2-ethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole (5146-88-3)

Guidance literature:

(dehydration);

upstream raw materials:

2-methyl-2-propionylamino-propan-1-ol

isobutene

propiononitrile

2-Amino-2-methyl-1-propanol

Downstream raw materials:

2-[1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-ethyl]-cyclohexanol

2(RS)-(4,4-dimethyl-2-oxazolin-2-yl)-14-phenyltetradecane

N-<2-Phenylmercapto-1,1-dimethyl-aethyl>-propionamid

2-<2-(1-phenyl-2-nitro)propyl>-4,4-dimethyl-2-oxazoline

Refernces

• 1、 Videtta, Valeria,Perrone, Serena,Rosato, Francesca,Alifano, Pietro,Tredici, Salvatore M.,Troisi, Luigino. "Condensed oxaziridine-mediated [3+2] cycloaddition: Synthesis of polyhetero-bicyclo compounds". scheme or table. p. 2781 - 2783. Retrieved 2010/12/25.
• 2、 Gonda, Jozef,Kristian, Pavol,Mikler, Lubomir. "SYNTHESIS OF ISOTHIOCYANATES FROM NON-AROMATIC NITROGEN-CONTAINING HETEROCYCLES". . p. 112 - 117. Retrieved 2007/10/02.