Difluoroiodotoluene

Base Information

• Chemical Name: Difluoroiodotoluene
• CAS No.: 371-11-9
• Molecular Formula: C7H7 F2 I
• Molecular Weight: 256.034
• European Community (EC) Number: 689-018-3
• UNII: 3R9W1C8C84
• Nikkaji Number: J1.189.573E
• Wikidata: Q27257935
• Mol file: 371-11-9.mol

Synonyms:371-11-9;p-(Difluoroiodo)toluene;Difluoroiodotoluene;4-IODOTOLUENE DIFLUORIDE;Difluoroiodotoluene [MI];Difluoro(4-methylphenyl)iodine;4-Methyl-1-(difluoroiodo)benzene;Benzene, 1-(difluoriodo)-4-methyl-;difluoro-(4-methylphenyl)-lambda3-iodane;3R9W1C8C84;p-iodotoluene difluoride;UNII-3R9W1C8C84;1-(Difluoriodo)-4-methylbenzene;Iodine, difluoro(4-methylphenyl)-;SCHEMBL582973;AKOS007929934;difluoro(4-methylphenyl)-lambda3-iodane;CS-0179659;EN300-299836;Q27257935

Chemical Property of Difluoroiodotoluene

Chemical Property:

• Melting Point: 102-106 °C
• PSA: 0.00000
• LogP: 3.44000
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 255.95605
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

98%Min ^*data from raw suppliers

4-IODOTOLUENE DIFLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Difluoroiodotoluene

There total 8 articles about Difluoroiodotoluene 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: 97.0%

1-iodosyl-4-methylbenzene (69180-59-2) → 4-(difluoroiodo)toluene (371-11-9)

Guidance literature:

With hydrogen fluoride; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/ejoc.200400659

Reference yield: 91.0%

4-tolyl iodide (624-31-7) → 4-(difluoroiodo)toluene (371-11-9)

Guidance literature:

With Selectfluor; triethylamine tris(hydrogen fluoride); In [D₃]acetonitrile; at 20 ℃; for 22h; Reagent/catalyst; Concentration; Schlenk technique; Inert atmosphere; Darkness;

DOI:10.1021/acs.joc.7b01671

Reference yield: 66.0%

4-dichloroiodanyl-toluene (19028-26-3) → 4-(difluoroiodo)toluene (371-11-9)

Guidance literature:

With hydrogen fluoride; mercury(II) oxide; In dichloromethane; for 2h;

DOI:10.1039/b209079a

upstream raw materials:

1-iodosyl-4-methylbenzene

4-tolyl iodide

4-dichloroiodanyl-toluene

1-(diacetoxyiodo)-4-methylbenzene

Downstream raw materials:

C₁₅H₁₃F₂I

C₁₈H₂₅F₂IO₂

Refernces

• 1、 Bolm, Carsten,Ma, Ding,Tu, Yongliang,Wang, Chenyang. "Photocatalytic Fluoro Sulfoximidations of Styrenes". supporting information. p. 14134 - 14137. Retrieved 2020/06/17.
• 2、 Doobary, Sayad,Sedikides, Alexi T.,Caldora, Henry P.,Poole, Darren L.,Lennox, Alastair J. J.. "Electrochemical Vicinal Difluorination of Alkenes: Scalable and Amenable to Electron-Rich Substrates". supporting information. p. 1155 - 1160. Retrieved 2019/12/11.