2,2-Dimethyloxetane

Base Information

• Chemical Name: 2,2-Dimethyloxetane
• CAS No.: 6245-99-4
• Molecular Formula: C5H10O
• Molecular Weight: 86.1338
• Hs Code.: 2932990090
• UNII: YLV43REH3A
• DSSTox Substance ID: DTXSID60211493
• Nikkaji Number: J64.655E
• Wikidata: Q27294582
• Mol file: 6245-99-4.mol

Synonyms:2,2-Dimethyloxetane;6245-99-4;Oxetane, 2,2-dimethyl-;BUTANE, 1,3-EPOXY-3-METHYL-;1,3-Epoxy-3-methylbutane;BRN 0102435;UNII-YLV43REH3A;YLV43REH3A;5-17-01-00083 (Beilstein Handbook Reference);DTXSID60211493;2,2-DIMETHYLOXACYCLOBUTANE;AKOS015906981;LS-45914;FT-0742296;Q27294582

Chemical Property of 2,2-Dimethyloxetane

Chemical Property:

• Vapor Pressure: 155mmHg at 25°C
• Refractive Index: 1.407
• Boiling Point: 67.9 °C at 760 mmHg
• PSA: 9.23000
• Density: 0.857 g/cm³
• LogP: 1.18530
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 57

Purity/Quality:

99%, ^*data from raw suppliers

2,2-DIMETHYLOXETANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCO1)C

Technology Process of 2,2-Dimethyloxetane

There total 10 articles about 2,2-Dimethyloxetane 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: 87.0%

(C4H9)3SnOC(CH3)2CH2CH2Br → 2,2-dimethyl-oxetane (6245-99-4) + tributyltin bromide (1461-23-0)

Guidance literature:

decompn. at 150°C (0.5 h);

DOI:10.1016/S0022-328X(00)81744-1

Reference yield:

(+/-)-2-methyloxetane (2167-39-7) + diazomethane (186581-53-3,908094-01-9,334-88-3) → ethyl-2 oxetanne (4737-47-7) + 2,2-dimethyl-oxetane (6245-99-4) + 3-methyltetrahydrofuran (13423-15-9) + 2,4-dimethyl-oxetane (14988-66-0)

Guidance literature:

at 0 ℃; Further byproducts given; Irradiation;

DOI:10.1016/S0040-4039(00)61878-6

Reference yield:

methylmagnesium bromide (75-16-1) + 2-chloropropionyl chloride (625-36-5) → 2,2-dimethyl-oxetane (6245-99-4)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 2) DMSO;

DOI:10.1021/jo00020a011

upstream raw materials:

4-chloro-2-methyl-2-butanol

(+/-)-2-methyloxetane

diazomethane

4-bromo-2-methyl-2-butanol

Downstream raw materials:

formaldehyd

ethene

acetone

isobutene

Refernces

• 1、 Kirmse, Wolfgang,Chiem, Pham Van. "OXYGEN YLIDES-II. PHOTOCHEMICAL AND RHODIUM-CATALYZED REACTIONS OF DIAZOMETHANE WITH (S)-2-METHYLOXETANE". . p. 197 - 200. Retrieved 2007/10/02.
• 2、 Hammonds, Paul,Holbrook, Kenneth A.. "THERMOLYSES OF 2-METHYLOXETAN AND 2,2-DIMETHYLOXETAN". . p. 2195 - 2204. Retrieved 2007/10/02.