1-(Iodomethyl)-2,3,4,5,6-pentamethylbenzene

Base Information

• Chemical Name: 1-(Iodomethyl)-2,3,4,5,6-pentamethylbenzene
• CAS No.: 119111-45-4
• Molecular Formula: C₁₂H₁₇I
• Molecular Weight: 288.171
• DSSTox Substance ID: DTXSID601260659
• Mol file: 119111-45-4.mol

Synonyms:1-(iodomethyl)-2,3,4,5,6-pentamethylbenzene;119111-45-4;DTXSID601260659

Chemical Property of 1-(Iodomethyl)-2,3,4,5,6-pentamethylbenzene

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 288.03750
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1C)C)CI)C)C

Technology Process of 1-(Iodomethyl)-2,3,4,5,6-pentamethylbenzene

There total 2 articles about 1-(Iodomethyl)-2,3,4,5,6-pentamethylbenzene 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: 85.0%

(E)-(η1-C6Me5CH2)Ta(CH=CH(CMe3))(2,6-OC6H3(i-Pr)2)2Cl (119145-79-8) → TaI2Cl((CH(CH3)2)2C6H3O)2 + (E)-1-iodo-3,3-dimethyl-1-butene (61382-45-4) + Pentamethylbenzyliodid (119111-45-4)

Guidance literature:

With iodine; In diethyl ether; under N2; C6Me5CH2I sublimed out, further products not isolated, detd. by NMR;

DOI:10.1021/ja00188a033

Reference yield:

2,3,4,5,6-pentamethylbenzyl chloride (484-65-1) → Pentamethylbenzyliodid (119111-45-4)

Guidance literature:

With sodium iodide; In acetone;

DOI:10.1021/ja01073a050

upstream raw materials:

2,3,4,5,6-pentamethylbenzyl chloride

(E)-(η1-C6Me5CH2)Ta(CH=CH(CMe3))(2,6-OC6H3(i-Pr)2)2Cl