1,4-Diiodo-2,5-dimethylbenzene

Base Information

• Chemical Name: 1,4-Diiodo-2,5-dimethylbenzene
• CAS No.: 1124-08-9
• Molecular Formula: C8H8I2
• Molecular Weight: 357.961
• Hs Code.: 2903999090
• European Community (EC) Number: 820-233-9
• DSSTox Substance ID: DTXSID30371179
• Nikkaji Number: J1.214.627B
• Wikidata: Q82158439
• Mol file: 1124-08-9.mol

Synonyms:1,4-diiodo-2,5-dimethylbenzene;1124-08-9;Benzene,1,4-diiodo-2,5-dimethyl-;2,5-Diiodo-p-xylene;C8H8I2;CDS1_000279;5-Nitrofurfuraldiacetate;2,5-diiodo-rho-xylene;Maybridge1_002567;DivK1c_001319;SCHEMBL1685558;YSSJ2339;HMS548M15;DTXSID30371179;WJYYUEQVECTILJ-UHFFFAOYSA-N;AMY15519;BAA12408;BTB 13663;MFCD00829126;AKOS015909131;s10429;1,4-bis(iodanyl)-2,5-dimethyl-benzene;AS-19765;CS-0061168;D5589;FT-0606880;EN300-207806;A802572;W-204783;Z276509550

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

Chemical Property:

• Vapor Pressure: 0.00142mmHg at 25°C
• Melting Point: 103-104 °C
• Refractive Index: 1.665
• Boiling Point: 306.2 °C at 760 mmHg
• Flash Point: 147.6 °C
• PSA: 0.00000
• Density: 2.154 g/cm³
• LogP: 3.51260
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• 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: 99.8

Purity/Quality:

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

1,4-Diiodo-2,5-dimethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 8 articles about 1,4-Diiodo-2,5-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: 96.0%

para-xylene (106-42-3) → 2,5-diiodo-p-xylene (1124-08-9)

Guidance literature:

With iodine; 1-(p-methylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one; In acetonitrile; for 16h; Ambient temperature;

DOI:10.1055/s-1998-1639

Reference yield: 94.0%

2,5-dimethylbenzenesulfonic acid (609-54-1) → 2,5-diiodo-p-xylene (1124-08-9)

Guidance literature:

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

DOI:10.1016/j.tetlet.2010.09.034

Reference yield: 67.0%

1-(2',5'-dimethylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one → 2,5-diiodo-p-xylene (1124-08-9)

Guidance literature:

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

DOI:10.1021/jo9825207

upstream raw materials:

para-xylene

2-iodo-p-xylene

2,5-dimethyl-4-iodoaniline

2,5-dimethylbenzenesulfonic acid

Downstream raw materials:

2,5-diiodo-1,4-bis(bromomethyl)benzene

2,5-Diiod-p-toluylsaeurenitril

2,5-Dijod-terephthalsaeuredinitril

2',5'-dimethyl-[1,1':4',1'']terphenyl

Refernces

• 1、 Muraki, Takahito,Togo, Hideo,Yokoyama, Masataka. "Reactivity and synthetic utility of 1-(arenesulfonyloxy) benziodoxolones". . p. 2883 - 2889. Retrieved 1999.
• 2、 Muraki, Takahito,Togo, Hideo,Yokoyama, Masataka. "Synthetic use of 1-(p-toluenesulfonyloxy)-1,2-benziodoxol-3(1H)-one: Iodination of aromatic rings". . p. 286 - 288. Retrieved 1998.
• 3、 Mascarelli,Longo. "-". . p. 295. Retrieved .
• 4、 Acelas, Mauricio,Sierra, Andrés Felipe,Sierra, César A.. "Exploring the nitro group reduction in low-solubility oligo-phenylenevinylene systems: Rapid synthesis of amino derivatives". supporting information. p. 1335 - 1352. Retrieved 2020/03/04.