2,2-Diethyloxirane

Base Information

• Chemical Name: 2,2-Diethyloxirane
• CAS No.: 1192-17-2
• Molecular Formula: C6H12 O
• Molecular Weight: 100.161
• NSC Number: 165646
• DSSTox Substance ID: DTXSID20304411
• Nikkaji Number: J567.239B
• Wikidata: Q82050306
• Mol file: 1192-17-2.mol

Synonyms:2,2-diethyloxirane;1192-17-2;Oxirane, 2,2-diethyl-;NSC165646;Oxirane,2-diethyl-;2, 2-Diethyloxirane;2,2-Diethyl-oxirane;2,2-Diethyloxacyclopropan;1,2-epoxy-2-ethylbutane;2-ethyl-1,2-epoxybutane;C(C)C1(CC)CO1;SCHEMBL179683;DTXSID20304411;MFCD17218320;AKOS012066108;NSC 165646;NSC-165646;AS-43513;EN300-126017;Z1020679898

Chemical Property of 2,2-Diethyloxirane

Chemical Property:

• Vapor Pressure: 33.4mmHg at 25°C
• Boiling Point: 106.1°Cat760mmHg
• Flash Point: 10.4°C
• Density: 0.849g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 64.6

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CO1)CC

Technology Process of 2,2-Diethyloxirane

There total 4 articles about 2,2-Diethyloxirane 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: 97.0%

2-ethyl-1-butene (760-21-4) → 2,2-diethyloxirane (1192-17-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 18h;

Reference yield:

2-ethyl-1-butene (760-21-4) → 2,2-diethyloxirane (1192-17-2) + 1,2,4-trioxolane (289-14-5) + 2-pentanol (584-02-1) + 2-ethylcrotonaldehyde (19780-25-7) + C5H10O3 + pentan-3-one (96-22-0)

Guidance literature:

With ozone; for 0.00388889h; under 4.1 Torr; Product distribution; Mechanism; reaction in gas phase; mass spectrum of ozone and title compound;

DOI:10.1021/ja00403a031

Reference yield:

3-chloromethyl-pentan-3-ol (15642-93-0) → 2,2-diethyloxirane (1192-17-2)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

3-chloromethyl-pentan-3-ol

2-ethyl-1-butene

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 002206; 002207. . Retrieved 2021/01/22.
• 2、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 002248; 002249; 002250. . Retrieved 2019/07/17.