1-Iodopentadecane

Base Information

• Chemical Name: 1-Iodopentadecane
• CAS No.: 35599-78-1
• Molecular Formula: C15H31I
• Molecular Weight: 338.316
• DSSTox Substance ID: DTXSID201037321
• Nikkaji Number: J271.072B
• Mol file: 35599-78-1.mol

Synonyms:1-iodopentadecane;35599-78-1;Pentadecyljodid;pentadecyl iodide;SCHEMBL1374452;DTXSID201037321;AKOS026676575;F8880-5662

Chemical Property of 1-Iodopentadecane

Chemical Property:

• Melting Point: 24°C
• Refractive Index: 1.4801
• Boiling Point: 324.55°C (estimate)
• PSA: 0.00000
• Density: 1.1353 (rough estimate)
• LogP: 6.51260
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 338.14705
• Heavy Atom Count: 16
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

1-Iodopentadecane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCI
• Uses: 1-Iodopentadecane is a useful reagent as the the iodine within its structure allows it to be a good candidate for cross coupling reactions.

Technology Process of 1-Iodopentadecane

There total 8 articles about 1-Iodopentadecane 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: 97.0%

n-hexadecanoyl chloride (112-67-4) → 2-<(trichloromethyl)thio>pyridine (66832-24-4) + 1-iodopentadecane (35599-78-1)

Guidance literature:

With iodoform; 2-mercaptopyridine-1-oxide sodium salt; dmap; In cyclohexene; at 83 ℃; for 4h;

DOI:10.1016/S0040-4020(01)97173-X

Reference yield: 96.0%

1-hexadecylcarboxylic acid (57-10-3) → 1-iodopentadecane (35599-78-1)

Guidance literature:

With iodine; In 1,2-dichloro-ethane; at 100 ℃; for 12h; Solvent; Temperature; Sealed tube; Darkness;

DOI:10.1002/ejoc.201501315

Reference yield: 94.0%

N-palmitoxy-2-pyridinethione (89025-67-2) → 1-iodopentadecane (35599-78-1)

Guidance literature:

With iodoform; In tetrachloromethane; at 20 ℃; for 0.0833333h; Irradiation; light source: tungsten;

DOI:10.1016/S0040-4039(01)80425-1

upstream raw materials:

pentadecanol

silver palmitate

N-palmitoxy-2-pyridinethione

4-methyl-3-[(1-oxohexadecyl)oxy]-2(3H)-thiazolethione

Downstream raw materials:

2-(3,5-dimethoxy-4-methyl-benzoyl)-heptadecanoic acid ethyl ester

n-triacontane

dipentadecyl ether

nonadecan-2-one