1-Iododecane

Base Information

• Chemical Name: 1-Iododecane
• CAS No.: 2050-77-3
• Molecular Formula: C10H21I
• Molecular Weight: 268.181
• Hs Code.: 29033990
• European Community (EC) Number: 218-104-1
• DSSTox Substance ID: DTXSID9062142
• Nikkaji Number: J236.232E
• Wikidata: Q81989872
• Mol file: 2050-77-3.mol

Synonyms:1-IODODECANE;2050-77-3;Decane, 1-iodo-;Decyl iodide;n-Decyl iodide;1-iodo-decane;EINECS 218-104-1;iododecane;1-iodanyldecane;1-Decyl iodide;C10H21I;1-Iod0decane;1-Iododecane, 98%;SCHEMBL527258;DTXSID9062142;C10-H21-I;MFCD00001085;AKOS009031584;AS-56656;LS-59334;CS-0196431;FT-0607956;I0494;EN300-19408;D95272;A814620;J-013368;F0001-0726

Chemical Property of 1-Iododecane

Chemical Property:

• Appearance/Colour: light yellow clear liquid
• Vapor Pressure: 0.01 mm Hg ( 20 °C)
• Melting Point: -16℃
• Refractive Index: n20/D 1.485(lit.)
• Boiling Point: 264.174 °C at 760 mmHg
• Flash Point: 99.335 °C
• PSA: 0.00000
• Density: 1.262 g/cm³
• LogP: 4.56210
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Water Solubility.: Immiscible with water.
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 268.06880
• Heavy Atom Count: 11
• Complexity: 61.9

Purity/Quality:

97% ^*data from raw suppliers

1-Iododecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiF
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCCCCI
• Uses: 1-Iododecane is used as a precursor to prepare 9-nonadecanone through palladium-catalyzed carbonylative cross-coupling reaction with 9-octyl-9-borabicyclo[3.3.l]nonane. It is also used as an intermediate in organic synthesis. 1-Iododecane has been used in the preparation of 9-nonadecanone via palladium-catalyzed carbonylative cross-coupling reaction with 9-octyl-9-borabicyclo[3.3.l]nonane.

Technology Process of 1-Iododecane

There total 17 articles about 1-Iododecane 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: 98.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) → Iododecane (2050-77-3)

Guidance literature:

1-Decene; With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; at 20 ℃; for 0.25h; Inert atmosphere;

With iodine; In tetrahydrofuran; at 20 ℃; for 0.25h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol403183a

Reference yield: 98.0%

1-fluorodecane (334-56-5) → Iododecane (2050-77-3)

Guidance literature:

With YbI₃; In dichloromethane; at 20 ℃; for 9h; Reagent/catalyst; Solvent;

DOI:10.1002/anie.201306104

Reference yield: 97.0%

(decylselenonyl)benzene (98750-95-9) → Iododecane (2050-77-3)

Guidance literature:

With sodium iodide; In acetone; at 20 ℃; for 1h;

DOI:10.1039/c39850000571

upstream raw materials:

1-Decanol

1-Decene

methyl iodide

methanesulfonic acid decyl ester

Downstream raw materials:

1-decylpiperazine

3-bromo-1-decyl-pyridinium; iodide

6-chloro-1-decyl-quinolinium; iodide

decylbenzene