(3,3-Diiodopropyl)benzene

Base Information

• Chemical Name: (3,3-Diiodopropyl)benzene
• CAS No.: 141694-60-2
• Molecular Formula: C9H10I2
• Molecular Weight: 371.987
• DSSTox Substance ID: DTXSID30576425
• Nikkaji Number: J1.228.701A
• Wikidata: Q82466113
• Mol file: 141694-60-2.mol

Synonyms:(3,3-Diiodopropyl)benzene;141694-60-2;SCHEMBL17008843;DTXSID30576425

Chemical Property of (3,3-Diiodopropyl)benzene

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 371.88720
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(I)I

Technology Process of (3,3-Diiodopropyl)benzene

There total 4 articles about (3,3-Diiodopropyl)benzene 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: 64.0%

hydrocinnamaldehyde N-tert-butyldimethylsilylhydrazone → 1,1-diiodo-3-phenylpropane (141694-60-2)

Guidance literature:

With methanol; iodine; triethylamine; In tetrahydrofuran; at -10 - 23 ℃;

DOI:10.1021/ja049694s

Reference yield: 46.0%

propargyl benzene (10147-11-2) → 1,1-diiodo-3-phenylpropane (141694-60-2)

Guidance literature:

propargyl benzene; With dichloroaluminum hydride; lithium chloride; In toluene; at 90 ℃; for 3h;

With iodine; In tetrahydrofuran; toluene; at 20 ℃; for 0.25h;

DOI:10.1039/a907355h

Reference yield:

Trifluoro-methanesulfonic acid 3-phenyl-1-trifluoromethanesulfonyloxy-propyl ester (141694-57-7) → 1,1-diiodo-3-phenylpropane (141694-60-2)

Guidance literature:

With magnesium iodide; In carbon disulfide; at 0 ℃; for 2h; Yield given;

DOI:10.1016/0040-4039(92)88136-S

upstream raw materials:

Trifluoro-methanesulfonic acid 3-phenyl-1-trifluoromethanesulfonyloxy-propyl ester

propargyl benzene

3-phenyl-propionaldehyde

Downstream raw materials:

(3-methylbutyl)benzene

(E)-1-iodo-3-phenyl-1-propene

(Z)-1-iodo-3-phenylpropene

4-methyl-1-phenylhexane