1,5-Diiodo-2,4-dimethylbenzene

Base Information

• Chemical Name: 1,5-Diiodo-2,4-dimethylbenzene
• CAS No.: 4102-50-5
• Molecular Formula: C8H8I2
• Molecular Weight: 357.961
• European Community (EC) Number: 811-061-5
• DSSTox Substance ID: DTXSID80503125
• Nikkaji Number: J1.214.626D
• Wikidata: Q82356679
• Mol file: 4102-50-5.mol

Synonyms:1,5-Diiodo-2,4-dimethylbenzene;4102-50-5;Benzene, 1,5-diiodo-2,4-dimethyl-;4,6-Diiodo-m-xylene;4,6-Dijod-m-xylol;SCHEMBL1369255;DTXSID80503125;MFCD29089354;BS-44189;D5005;D90357

Chemical Property of 1,5-Diiodo-2,4-dimethylbenzene

Chemical Property:

• 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: 102

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1I)I)C

Technology Process of 1,5-Diiodo-2,4-dimethylbenzene

There total 14 articles about 1,5-Diiodo-2,4-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: 86.0%

2,4-dimethylbenzenesulfonic acid (88-61-9) → 4,6-diiodo-1,3-xylene (4102-50-5)

Guidance literature:

With 2-Iodobenzoic acid; iodine; 3-chloro-benzenecarboperoxoic acid; In acetonitrile; at 50 ℃; for 8h; Darkness;

DOI:10.1016/j.tetlet.2010.09.034

Reference yield: 81.0%

m-xylene (108-38-3,104809-90-7) → 4,6-diiodo-1,3-xylene (4102-50-5)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; iodine; In acetic anhydride; acetic acid; at 55 - 65 ℃; for 1.5h;

DOI:10.1246/bcsj.70.1665

Reference yield: 68.0%

1-(2',4'-dimethylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one → 4,6-diiodo-1,3-xylene (4102-50-5)

Guidance literature:

With iodine; In acetonitrile; at 20 - 30 ℃; for 16h;

DOI:10.1021/jo9825207

upstream raw materials:

1-iodo-2,4-dimethylbenzene

m-xylene

6-Amino-4-iod-m-xylol

iodine

Downstream raw materials:

m-xylene

1,5-dimethyl-2,4-bis(triethylsilanyl)benzene

1,5-bis(bromomethyl)-2,4-diiodobenzene

C₃₄H₁₁F₇N₄O

Refernces

• 1、 Suzuki, Yuhsuke,Ishiwata, Yoshihide,Moriyama, Katsuhiko,Togo, Hideo. "Desulfonyloxyiodination of arenesulfonic acids with mCPBA and molecular iodine". experimental part. p. 5950 - 5953. Retrieved 2010/11/21.
• 2、 Muraki, Takahito,Togo, Hideo,Yokoyama, Masataka. "Reactivity and synthetic utility of 1-(arenesulfonyloxy) benziodoxolones". . p. 2883 - 2889. Retrieved 2007/10/03.