Benzene, (2,2-diiodo-1-methylethyl)-

Base Information

• Chemical Name: Benzene, (2,2-diiodo-1-methylethyl)-
• CAS No.: 141694-61-3
• Molecular Formula: C₉H₁₀I₂
• Molecular Weight: 371.987
• DSSTox Substance ID: DTXSID90456395
• Mol file: 141694-61-3.mol

Synonyms:Benzene, (2,2-diiodo-1-methylethyl)-;141694-61-3;DTXSID90456395

Chemical Property of Benzene, (2,2-diiodo-1-methylethyl)-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 371.88720
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, (2,2-diiodo-1-methylethyl)-

There total 2 articles about Benzene, (2,2-diiodo-1-methylethyl)- 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:

Trifluoro-methanesulfonic acid 2-phenyl-1-trifluoromethanesulfonyloxy-propyl ester (141694-58-8) → (2,2-Diiodo-1-methyl-ethyl)-benzene (141694-61-3)

Guidance literature:

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

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

Reference yield:

2-Phenylpropanal (34713-70-7) → (2,2-Diiodo-1-methyl-ethyl)-benzene (141694-61-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-diisobutyl-2,4-dimethyl-3-pentylamine / CH₂Cl₂ / 12 h / 0 °C

2: MgI₂ / CS₂ / 2 h / 0 °C

With N,N-diisobutyl-2,4-dimethyl-3-pentylamine; magnesium iodide; In carbon disulfide; dichloromethane;

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

Reference yield:

(2,2-Diiodo-1-methyl-ethyl)-benzene (141694-61-3) → [(1E)-2-iodo-1-methyl-vinyl]-benzene (66644-32-4) + Z-(2-iodo-1-methylethenyl)-benzene (137195-74-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 100 ℃; for 0.333333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

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

upstream raw materials:

Trifluoro-methanesulfonic acid 2-phenyl-1-trifluoromethanesulfonyloxy-propyl ester

2-Phenylpropanal

Downstream raw materials:

[(1E)-2-iodo-1-methyl-vinyl]-benzene

Z-(2-iodo-1-methylethenyl)-benzene

Refernces