2-Isopropyl-2-methyloxirane

Base Information

• Chemical Name: 2-Isopropyl-2-methyloxirane
• CAS No.: 72221-03-5
• Molecular Formula: C6H12 O
• Molecular Weight: 100.161
• European Community (EC) Number: 276-489-1
• DSSTox Substance ID: DTXSID70880710
• Nikkaji Number: J299.055E
• Mol file: 72221-03-5.mol

Synonyms:2-Isopropyl-2-methyloxirane;72221-03-5;2-methyl-2-(propan-2-yl)oxirane;2-methyl-2-propan-2-yloxirane;EINECS 276-489-1;Oxirane, 2-methyl-2-(1-methylethyl)-;2,3-dimethyl-1,2-epoxybutane;2-Methyl-2-(1-methylethyl)-oxirane;2-Isopropyl-2-methyloxirane #;SCHEMBL2614799;DTXSID70880710;2-Methyl-2-(1-methylethyl)oxirane;AKOS012066939;EN300-153454;Z1020679970

Chemical Property of 2-Isopropyl-2-methyloxirane

Chemical Property:

• Vapor Pressure: 77mmHg at 25°C
• Boiling Point: 85.7°C at 760 mmHg
• Flash Point: 1.1°C
• PSA: 12.53000
• Density: 0.872g/cm³
• LogP: 1.43130
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 78.2

Purity/Quality:

98%min ^*data from raw suppliers

2-methyl-2-(propan-2-yl)oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1(CO1)C

Technology Process of 2-Isopropyl-2-methyloxirane

There total 14 articles about 2-Isopropyl-2-methyloxirane 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: 81.0%

2,3-Dimethyl-1-butene (563-78-0) → 2,3-dimethyl-1,2-epoxybutane (72221-03-5)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 12h; Ambient temperature;

Reference yield: 64.0%

2,3-dimethylbutane (79-29-8) → 2,3-dimethyl-1,2-epoxybutane (72221-03-5) + 2,3-dimethylbutan-2-ol (594-60-5)

Guidance literature:

With O(³P); at -80 ℃; Product distribution;

Reference yield: 49.0%

→ 2,3-dimethyl-1,2-epoxybutane (72221-03-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 22 ℃;

upstream raw materials:

1-chloro-2,3-dimethyl-butan-2-ol

2,3-Dimethyl-1-butene

3-methyl-butan-2-one

dimethylsulfide

Downstream raw materials:

2,3-dimethylbutanal

Refernces

• 1、 Hubbell, Aran K.,Lapointe, Anne M.,Lamb, Jessica R.,Coates, Geoffrey W.. "Regioselective Carbonylation of 2,2-Disubstituted Epoxides: An Alternative Route to Ketone-Based Aldol Products". supporting information. p. 2474 - 2480. Retrieved 2019/02/14.
• 2、 Wang, Zhandong,Herbinet, Olivier,Cheng, Zhanjun,Husson, Benoit,Fournet, Rene,Qi, Fei,Battin-Leclerc, Frederique. "Experimental investigation of the low temperature oxidation of the five isomers of hexane". . p. 5573 - 5594. Retrieved 2014/08/18.