3,3-Dimethyloxetane

Base Information

• Chemical Name: 3,3-Dimethyloxetane
• CAS No.: 6921-35-3
• Molecular Formula: C5H10O
• Molecular Weight: 86.1338
• Hs Code.: 2932999099
• European Community (EC) Number: 625-959-8
• DSSTox Substance ID: DTXSID30219244
• Nikkaji Number: J35.467H
• Wikidata: Q72471099
• Mol file: 6921-35-3.mol

Synonyms:3,3-Dimethyloxetane;6921-35-3;Oxetane, 3,3-dimethyl-;3,3-Dimethyltrimethylene oxide;3,3-dimethyl-oxetane;Propane, 1,3-epoxy-2,2-dimethyl-;1,3-Epoxy-2,2-dimethylpropane;beta,beta-Dimethyltrimethylene oxide;BRN 0102430;Oxetane, 3,3-dimethyl- (9CI);3,3-Dimethyloxetane, 98%;DTXSID30219244;MFCD00005168;AKOS015907027;MB00151;.beta.,.beta.-Dimethyltrimethylene oxide;LS-120797;AM20020043;FT-0746983

Chemical Property of 3,3-Dimethyloxetane

Chemical Property:

• Vapor Pressure: 155mmHg at 25°C
• Refractive Index: n20/D 1.399(lit.)
• Boiling Point: 67.9 °C at 760 mmHg
• Flash Point: 15 °F
• PSA: 9.23000
• Density: 0.857 g/cm³
• LogP: 1.04280
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 51

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3-Dimethyloxetane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: F,Xn
• Statements: 11-20/21/22
• Safety Statements: 16-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CC1(COC1)C

Technology Process of 3,3-Dimethyloxetane

There total 4 articles about 3,3-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: 90.0%

<3-Brom-2.2-dimethyl-propoxy-(1)>-tributyl-zinn (40894-13-1) → 3,3-dimethyloxetane (6921-35-3) + tributyltin bromide (1461-23-0)

Guidance literature:

decompn. at 200°C (0.5 h);

DOI:10.1016/S0022-328X(00)81744-1 DOI:10.1016/S0040-4039(01)88092-8

Reference yield:

2,2-dimethylpropane (463-82-1) → 3,3-dimethyloxetane (6921-35-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + methane (34557-54-5,27936-85-2) + acetone (67-64-1) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With hydrogen; oxygen; at 380 - 520 ℃; under 500 Torr; Mechanism; Product distribution; variation of pressures of reactants;

DOI:10.1039/f19827801615

Reference yield:

3-bromo-2,2-dimethyl-propan-1-ol (40894-00-6) → 3,3-dimethyloxetane (6921-35-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + isobutene (115-11-7,15220-85-6)

Guidance literature:

Produkt 5:Methanol;

DOI:10.1021/ja01108a516 DOI:10.1021/jo01094a001

upstream raw materials:

2,2-dimethylpropane

3-bromo-2,2-dimethyl-propan-1-ol

<3-Brom-2.2-dimethyl-propoxy-(1)>-tributyl-zinn

Downstream raw materials:

3-chloro-2,2-dimethylpropan-1-ol

Acetic acid 3-benzyloxy-2,2-dimethyl-propyl ester

O-2,2-Dimethyl-3-chloropropylphenylphosphonigesaeure-chlorid

3-bromo-2,2-dimethyl-propan-1-ol