4-Iodooctane

Base Information

• Chemical Name: 4-Iodooctane
• CAS No.: 1117-32-4
• Molecular Formula: C8H17 I
• Molecular Weight: 240.127
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID50540986
• Nikkaji Number: J1.102.551J
• Mol file: 1117-32-4.mol

Synonyms:4-IODOOCTANE;1117-32-4;4-iodo-octane;SCHEMBL1001865;DTXSID50540986

Chemical Property of 4-Iodooctane

Chemical Property:

• Refractive Index: 1.4986 (estimate)
• Boiling Point: 212.38°C (estimate)
• PSA: 0.00000
• Density: 1.3231 (rough estimate)
• 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:

98%,99%, ^*data from raw suppliers

4-IODOOCTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCC)I

Technology Process of 4-Iodooctane

There total 9 articles about 4-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: 93.0%

trans-4-Octene (14850-23-8) → 4-iodooctane (1117-32-4)

Guidance literature:

With phosphoric acid; iodine; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1016/j.tet.2019.05.019

Reference yield: 91.0%

4-octene (592-99-4,7642-15-1,14850-23-8) → 4-iodooctane (1117-32-4)

Guidance literature:

With N-iodo-succinimide; di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]diiridium; hydrogen; (S,R)-zhaophos; In dichloromethane; at 20 ℃; for 14h; under 7500.75 Torr; regioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.2c00392

Reference yield: 55.0%

→ 4-iodooctane (1117-32-4)

Guidance literature:

With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; hydrogen; iodine; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; at 20 ℃; for 72h; under 30003 Torr;

upstream raw materials:

(S)-4-Octanol

octan-4-ol

1-hexene

ethyl iodide

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、 -. "Method for the Preparation of Iodoalkanes". Paragraph 0036. . Retrieved 2017/08/07.