2-Iodooctane

Base Information

• Chemical Name: 2-Iodooctane
• CAS No.: 557-36-8
• Deprecated CAS: 36049-78-2,75461-08-4
• Molecular Formula: C₈H₁₇I
• Molecular Weight: 240.127
• European Community (EC) Number: 209-172-3
• UNII: 89710GTW4Y
• DSSTox Substance ID: DTXSID90870613
• Nikkaji Number: J10.691G
• Wikidata: Q27270016
• Mol file: 557-36-8.mol

Synonyms:2-IODOOCTANE;557-36-8;Octane, 2-iodo-;sec-Octyl iodide;2-Octyl iodide;EINECS 209-172-3;UNII-89710GTW4Y;89710GTW4Y;2-iodo-octane;SEC-OCTYL IODIDE [MI];SCHEMBL6032249;DTXSID90870613;(+/-)-2-OCTYL IODIDE;STL453657;Octane, 2-iodo-, (.+/-.)-;AKOS009031590;LS-97924;FT-0612683;Q27270016

Chemical Property of 2-Iodooctane

Chemical Property:

• Vapor Pressure: 0.285mmHg at 25°C
• Refractive Index: 1.4986 (estimate)
• Boiling Point: 210°C at 760 mmHg
• Flash Point: 74.3°C
• PSA: 0.00000
• Density: 1.335g/cm³
• LogP: 3.78030
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 240.03750
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

99% ^*data from raw suppliers

2-IODO OCTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCC(C)I

Technology Process of 2-Iodooctane

There total 25 articles about 2-Iodooctane 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: 99.0%

2-Octyl tosylate (1028-12-2) → 2-iodooctane (36049-78-2,557-36-8)

Guidance literature:

With 1-methyl-3-(n-butyl)imidazolium iodide; at 60 ℃; for 24h; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0032-1317473 DOI:10.1055/s-0032-1317473

Reference yield: 98.0%

oct-1-ene (111-66-0,25068-25-1) → 2-iodooctane (36049-78-2,557-36-8)

Guidance literature:

With diphenyl hydrogen phosphite; diphenyl-phosphinic acid; iodine; In chloroform; at 20 - 30 ℃; for 16h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2012.08.096

Reference yield: 97.0%

2-bromooctane (557-35-7,60251-57-2) → 2-iodooctane (36049-78-2,557-36-8)

Guidance literature:

With hydrogen iodide; cetyltributylphosphonium bromide; at 130 ℃; for 0.333333h;

upstream raw materials:

rac-octan-2-ol

p-toluenesulfonyl chloride

2-chlorooctane

2-bromooctane

Downstream raw materials:

2-octyl cyanide

octane

2-fluorooctane

oct-1-ene

Refernces

• 1、 Xiao, Jing,Han, Li-Biao. "Ready access to organoiodides: Practical hydroiodination and double-iodination of carbon-carbon unsaturated bonds with I2". . p. 3510 - 3515. Retrieved 2019/05/17.
• 2、 Zeng, Chaoyuan,Shen, Guoli,Yang, Fan,Chen, Jingchao,Zhang, Xuexin,Gu, Cuiping,Zhou, Yongyun,Fan, Baomin. "Rhodium-Catalyzed Generation of Anhydrous Hydrogen Iodide: An Effective Method for the Preparation of Iodoalkanes". supporting information. p. 6859 - 6862. Retrieved 2018/10/25.