Eicosane, 1-iodo-

Base Information

• Chemical Name: Eicosane, 1-iodo-
• CAS No.: 34994-81-5
• Molecular Formula: C20H41 I
• Molecular Weight: 408.45
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID20334435
• Wikidata: Q82100235
• Mol file: 34994-81-5.mol

Synonyms:eicosane, 1-iodo-;1-IODOEICOSANE;34994-81-5;SCHEMBL1377733;DTXSID20334435

Chemical Property of Eicosane, 1-iodo-

Chemical Property:

• Melting Point: 41.45°C
• Refractive Index: 1.4716 (estimate)
• Boiling Point: 391.28°C (rough estimate)
• PSA: 0.00000
• Density: 1.0758 (rough estimate)
• LogP: 8.46310
• XLogP3: 11.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 408.22530
• Heavy Atom Count: 21
• Complexity: 167

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCI
• Use Description: 1-Iodoeicosane is a chemical compound with applications in various fields. In the field of organic synthesis and chemical research, it serves as a valuable reagent for the introduction of iodine atoms into organic molecules, a process known as iodination. Its long carbon chain and iodine substituent make it useful for modifying the properties of organic compounds and studying their reactivity. Its role is fundamental in advancing chemical synthesis and enabling the preparation of iodinated compounds for various applications. Furthermore, in the field of materials science, this compound may find utility as a precursor for the production of specialized materials with specific properties. The presence of the long carbon chain can influence the properties of resulting materials, making it valuable in the development of advanced materials, such as surfactants, lubricants, or coatings, with tailored characteristics for industrial applications. Its significance varies within these fields, but it consistently plays a pivotal role in advancing chemical synthesis and materials innovation across diverse scientific and industrial applications.

Technology Process of Eicosane, 1-iodo-

There total 3 articles about Eicosane, 1-iodo- 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: 70.0%

n-eicosanol (629-96-9) → 1-iodoeicosane (34994-81-5)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In tetrahydrofuran; for 5h; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.201101472

Reference yield:

1-Bromoeicosane (4276-49-7) + methyl iodide (74-88-4) → 1-iodoeicosane (34994-81-5)

Guidance literature:

In acetone; at 30 ℃; for 120h;

DOI:10.1055/s-2005-872216

Reference yield:

methanesulfonic acid icosyl ester (3381-25-7) → 1-iodoeicosane (34994-81-5)

Guidance literature:

With sodium iodide;

DOI:10.1002/anie.200906169

upstream raw materials:

n-eicosanol

1-Bromoeicosane

methyl iodide

methanesulfonic acid icosyl ester

Downstream raw materials:

icosane

n-tetracontane

C₂₂H₄₇O₃P

(2S,3R)-ethyl 3-(ethoxycarbonyl)-2-hydroxy-tricosanoate

Refernces

• 1、 Khan, Ashna A.,Chee, Stephanie H.,Stocker, Bridget L.,Timmer, Mattie S. M.. "The synthesis of long-chain α-alkyl-β-hydroxy esters using allylic halides in a Frater-Seebach alkylation". supporting information; experimental part. p. 995 - 1002. Retrieved 2012/03/27.