1,2-Diiodo-3,5-dimethylbenzene

Base Information

• Chemical Name: 1,2-Diiodo-3,5-dimethylbenzene
• CAS No.: 4102-49-2
• Molecular Formula: C8H8I2
• Molecular Weight: 357.961
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80697831
• Nikkaji Number: J2.807.114K
• Wikidata: Q82627855
• Mol file: 4102-49-2.mol

Synonyms:1,2-DIIODO-3,5-DIMETHYLBENZENE;4102-49-2;SCHEMBL3007305;DTXSID80697831;BWEXGFATNVJEBC-UHFFFAOYSA-N;FT-0752553

Chemical Property of 1,2-Diiodo-3,5-dimethylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.51260
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 357.87155
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

1,2-DIIODO-3,5-DIMETHYLBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)I)I)C

Technology Process of 1,2-Diiodo-3,5-dimethylbenzene

There total 2 articles about 1,2-Diiodo-3,5-dimethylbenzene 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:

2,4-Xylidine (95-68-1) → 1-iodo-3,5-dimethyliodobenzene (4102-49-2)

Guidance literature:

Multi-step reaction with 2 steps

1: I₂, aq. NaHCO₃

2: (i) NaNO₂, H₂SO₄, (ii) aq. KI

With iodine; sodium hydrogencarbonate;

DOI:10.1246/bcsj.38.1590

Reference yield:

2-iodo-4,6-dimethylaniline (4102-54-9) → 1-iodo-3,5-dimethyliodobenzene (4102-49-2)

Guidance literature:

Multistep reaction; (i) NaNO₂, H₂SO₄, (ii) aq. KI;

DOI:10.1246/bcsj.38.1590

Reference yield: 78.0%

1-iodo-3,5-dimethyliodobenzene (4102-49-2) + toluene-4-sulfonic acid (104-15-4) → (3,5-dimethylphenyl)(hydroxy)-λ3-iodaneyl 4-methylbenzenesulfonate

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; 2,2,2-trifluoroethanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/C8CC06211K

upstream raw materials:

2-iodo-4,6-dimethylaniline

2,4-Xylidine

Downstream raw materials:

2,5,7-trimethyl-1-phenyl-1H-benzimidazole