3-(Chloromethyl)-3-methyloxetane

Base Information

• Chemical Name: 3-(Chloromethyl)-3-methyloxetane
• CAS No.: 822-48-0
• Molecular Formula: C5H9ClO
• Molecular Weight: 120.579
• Hs Code.: 2932999099
• European Community (EC) Number: 679-631-4
• DSSTox Substance ID: DTXSID80231618
• Nikkaji Number: J3.360.942F
• Wikidata: Q83112557
• Mol file: 822-48-0.mol

Synonyms:3-(Chloromethyl)-3-methyloxetane;822-48-0;Oxetane, 3-(chloromethyl)-3-methyl-;2-(Chloromethyl)-2-methyl-1,3-epoxypropane;3-Chloromethyl-3-methyloxetane;BRN 1236376;2-(Chloromethyl)-1,3-epoxy-2-methylpropane;SCHEMBL282689;DTXSID80231618;MFCD01709552;AKOS006378960;PB27545;AS-50433;LS-100952;AM20020049;C1229;CS-0051705;FT-0754558;P10201;EN300-1982101

Chemical Property of 3-(Chloromethyl)-3-methyloxetane

Chemical Property:

• Vapor Pressure: 7.82mmHg at 25°C
• Melting Point: 138 °C
• Refractive Index: 1.437
• Boiling Point: 140 °C at 760 mmHg
• Flash Point: 42.9 °C
• PSA: 9.23000
• Density: 1.068 g/cm³
• LogP: 1.26170
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.0341926
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

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

3-(Chloromethyl)-3-methyloxetane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC1)CCl

Technology Process of 3-(Chloromethyl)-3-methyloxetane

There total 5 articles about 3-(Chloromethyl)-3-methyloxetane 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: 55.0%

3-hydroxymethyl-3-methyloxethane (3143-02-0) → 3-chloromethyl-3-methyl oxetane (822-48-0)

Guidance literature:

With tetrachloromethane; triphenylphosphine; at 120 ℃; for 5h;

Reference yield:

2,2-Bis(chloromethyl)propyl acetate (13431-60-2) → 3-chloromethyl-3-methyl oxetane (822-48-0)

Guidance literature:

With sodium hydroxide; at 70 - 86 ℃; Yield given;

DOI:10.1007/BF00771773

Reference yield:

2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) → 3-chloromethyl-3-methyl oxetane (822-48-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / diethyl carbonate, KOH / ethanol / 2 h / Heating

2: 12 percent / triphenylphosphine, pyridine, Cl₂ / CHCl₃ / 12 h / Ambient temperature

With pyridine; potassium hydroxide; chlorine; triphenylphosphine; Diethyl carbonate; In ethanol; chloroform;

upstream raw materials:

3-hydroxymethyl-3-methyloxethane

2,2-Bis(chloromethyl)propyl acetate

3,3-bis(chloromethyl)oxetane

2-(hydroxymethyl)-2-methylpropane-1,3-diol

Downstream raw materials:

C₆H₁₂N₂OS

Refernces

• 1、 Dale, Johannes,Fredriksen, Siw B.. "Cyclic Trimerization of Oxetanes". . p. 82 - 91. Retrieved 2007/10/02.