1,4-Diiodo-2-methylbutane

Base Information

• Chemical Name: 1,4-Diiodo-2-methylbutane
• CAS No.: 66688-32-2
• Molecular Formula: C5H10I2
• Molecular Weight: 323.943
• DSSTox Substance ID: DTXSID20549906
• Mol file: 66688-32-2.mol

Synonyms:1,4-diiodo-2-methylbutane;66688-32-2;SCHEMBL5698012;DTXSID20549906

Chemical Property of 1,4-Diiodo-2-methylbutane

Chemical Property:

• PSA: 0.00000
• LogP: 2.88260
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 323.88720
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCI)CI

Technology Process of 1,4-Diiodo-2-methylbutane

There total 2 articles about 1,4-Diiodo-2-methylbutane 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%

1,4-dibromo-2-methyl-butane (54462-66-7) → 2-methyl-1,4-diiodobutane (66688-32-2)

Guidance literature:

With sodium iodide; In acetone; Ambient temperature;

DOI:10.1021/jo00267a032

Reference yield: 85.0%

3-methyltetrahydrofuran (13423-15-9) → 2-methyl-1,4-diiodobutane (66688-32-2)

Guidance literature:

With O-phenyl phosphorodichloridate; sodium iodide; for 40h; Heating;

DOI:10.3987/R-1986-11-3043

Reference yield: 30.0%

Diethyl difluoromethylphosphonate (1478-53-1) + 2-methyl-1,4-diiodobutane (66688-32-2) → diethyl 1,1-difluoro-5-iodo-4-methylpentylphosphonate (876938-99-7) + [6-(diethoxy-phosphoryl)-1,1,6,6-tetrafluoro-4-methyl-hexyl]-phosphonic acid diethyl ester

Guidance literature:

Diethyl difluoromethylphosphonate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1.16667h;

2-methyl-1,4-diiodobutane; In tetrahydrofuran; at -78 ℃; for 4h;

DOI:10.1016/j.bmc.2005.10.017

upstream raw materials:

3-methyltetrahydrofuran

1,4-dibromo-2-methyl-butane

Downstream raw materials:

diethyl 1,1-difluoro-5-iodo-4-methylpentylphosphonate

trans-1-benzoyl-1-(trimethylsilyl)-3-methylcyclopentane

cis-1-benzoyl-1-(trimethylsilyl)-3-methylcyclopentane

Refernces

• 1、 Liu, Hsing-Jang,Shewchuk, Lisa M.,Llinas-Brunet, Montse. "A CONVENIENT METHOD FOR THE SYNTHESIS OF DIIODO COMPOUNDS. FACILE CLEAVAGE OF CYCLIC ETHERS BY PHENYL DICHLOROPHOSPHATE AND SODIUM IODIDE". . p. 3043 - 3046. Retrieved 2007/10/02.