3-Iodooxetane

Base Information

• Chemical Name: 3-Iodooxetane
• CAS No.: 26272-85-5
• Molecular Formula: C3H5IO
• Molecular Weight: 183.977
• Hs Code.: 29329990
• European Community (EC) Number: 663-678-2
• DSSTox Substance ID: DTXSID20538113
• Nikkaji Number: J2.627.997F
• Wikidata: Q72484257
• Mol file: 26272-85-5.mol

Synonyms:3-Iodooxetane;26272-85-5;3-iodo-oxetane;Oxetane, 3-iodo-;1,3-Epoxy-2-iodopropane;MFCD08544403;C3H5IO;3-Iodooxetane, 95%;2-Iodo-1,3-epoxypropane;SCHEMBL359615;DTXSID20538113;AKOS006229104;CS-W017022;GS-4547;HY-W016306;PB20276;SY009160;AM20020026;I0872;EN300-107095;A818355;3-(2-Methoxyphenyl)-3-oxo-propionicacidmethylester;J-512700

Chemical Property of 3-Iodooxetane

Chemical Property:

• Refractive Index: 1.58
• Boiling Point: 165.9 °C at 760 mmHg
• Flash Point: 54.1 °C
• PSA: 9.23000
• Density: 2.14 g/cm³
• LogP: 0.82020
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 183.93851
• Heavy Atom Count: 5
• Complexity: 33.9

Purity/Quality:

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

3-Iodooxetane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 26-60-37-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CO1)I
• Uses: 3-iodooxetane can be used for Laboratory chemicals, Manufacture of substances.

Technology Process of 3-Iodooxetane

There total 3 articles about 3-Iodooxetane 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: 69.0%

oxetan-3-yl 4-methylbenzenesulfonate (26272-83-3) → 3-iodooxetane (26272-85-5)

Guidance literature:

With potassium iodide; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; under 10 Torr; Heating;

DOI:10.1021/ol8011327

Reference yield:

oxetan-3-ol (7748-36-9) → 3-iodooxetane (26272-85-5)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02905

Reference yield:

→ 3-iodooxetane (26272-85-5)

Guidance literature:

3-Oxetyltosylat, KI, Triethylenglykol;

DOI:10.1021/jo00951a020

upstream raw materials:

oxetan-3-yl 4-methylbenzenesulfonate

oxetan-3-ol

Downstream raw materials:

N,N-dimethyl-3-(oxetan-3-yl)aniliiie

3-(4-fluorophenyl)oxetane

3-(4'-methylphenyl)oxetane

3-(3-chlorophenyl)oxetane

Refernces

• 1、 Duncton, Matthew A. J.,Estiarte, M. Angels,Tan, Darlene,Kaub, Carl,O'Mahony, Donogh J. R.,Johnson, Russell J.,Cox, Matthew,Edwards, William T.,Wan, Min,Kincaid, John,Kelly, Michael G.. "Preparation of aryloxetanes and arylazetidines by use of an alkyl-aryl suzuki coupling". experimental part. p. 3259 - 3262. Retrieved 2009/05/07.