(3S)-3-Iodooxolane

Base Information

• Chemical Name: (3S)-3-Iodooxolane
• CAS No.: 918439-76-6
• Molecular Formula: C4H7IO
• Molecular Weight: 198.003
• DSSTox Substance ID: DTXSID50680194
• Wikidata: Q82603741
• Mol file: 918439-76-6.mol

Synonyms:918439-76-6;(S)-3-IODO-TETRAHYDROFURAN;(3S)-3-IODOOXOLANE;(S)-3-Iodotetrahydrofuran;(3S)-3-iodotetrahydrofuran;SCHEMBL470814;DTXSID50680194;BKIQORJIKOPRCG-BYPYZUCNSA-N;MFCD17015958;AKOS025290802;AS-33577;CS-0053265

Chemical Property of (3S)-3-Iodooxolane

Chemical Property:

• PSA: 9.23000
• LogP: 1.21030
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 197.95416
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

97% ^*data from raw suppliers

(3S)-3-Iodooxolane 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC1I
• Isomeric SMILES: C1COC[C@H]1I

Technology Process of (3S)-3-Iodooxolane

There total 1 articles about (3S)-3-Iodooxolane 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: 57.0%

(R)-3-Hydroxytetrahydrofuran (86087-24-3,84921-89-1,864447-89-2) → (3S)-3-iodotetrahydrofuran (918439-76-6)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; Reflux;

Reference yield: 52.0%

(3S)-3-iodotetrahydrofuran (918439-76-6) → (R)-3-iodotetrahydrofuran (873063-62-8)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; Reflux;

Reference yield:

(3S)-3-iodotetrahydrofuran (918439-76-6) + para-bromobenzenethiol (106-53-6) → (3R)-3-(4-bromophenyl)sulfanyltetrahydrofuran (1286238-66-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm101488z

upstream raw materials:

(R)-3-Hydroxytetrahydrofuran

Downstream raw materials:

(3R)-3-(4-bromophenyl)sulfanyltetrahydrofuran

(R)-3-iodotetrahydrofuran

(3R)-3-(4-bromophenoxy)tetrahydrofuran