Cumyl iodide

Base Information

• Chemical Name: Cumyl iodide
• CAS No.: 54290-22-1
• Molecular Formula: C9H11I
• Molecular Weight: 246.091
• DSSTox Substance ID: DTXSID501037437
• Nikkaji Number: J1.919.959B
• Mol file: 54290-22-1.mol

Synonyms:Cumyl iodide;(2-Iodo-2-propanyl)benzene;SCHEMBL457997;alpha,alpha-Dimethylbenzyl iodide;NRUOAXAWGSOGNL-UHFFFAOYSA-N;DTXSID501037437;54290-22-1

Chemical Property of Cumyl iodide

Chemical Property:

• Vapor Pressure: 0.069mmHg at 25°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 245.99055
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Cumyl iodide

There total 3 articles about Cumyl iodide 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: 59.0%

2-Phenyl-2-(tetrahydropyran-2-yloxy)propane (79373-26-5) → α,α-dimethylbenzyl iodide (54290-22-1)

Guidance literature:

With boron trifluoride diethyl etherate; sodium iodide; In acetonitrile; for 48h; Ambient temperature;

DOI:10.1016/S0040-4039(00)74493-5

Reference yield: 49.0%

1-methyl-1-phenylethyl alcohol (617-94-7) → α,α-dimethylbenzyl iodide (54290-22-1)

Guidance literature:

With iodine; In Petroleum ether; for 1h; Heating;

DOI:10.1016/0040-4039(94)02315-3

Reference yield:

Isopropylbenzene (98-82-8) → α,α-dimethylbenzyl iodide (54290-22-1)

Guidance literature:

With tert.-butylhydroperoxide; iodine; In water; at 90 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1039/d1ob00118c

upstream raw materials:

1-methyl-1-phenylethyl alcohol

2-Phenyl-2-(tetrahydropyran-2-yloxy)propane

Isopropylbenzene

Downstream raw materials:

Isopropylbenzene

1-(4-isopropylphenyl)-2-trimethylsilylacetylene

1,2-bis(4-isopropylphenyl)acetylene

Refernces

• 1、 Joseph, Reni,Pallan, S. Pradeep,Sudalai, A.,Ravindranathan, T.. "Direct Conversion of Alcohols into the Corresponding Iodides". . p. 609 - 612. Retrieved 2007/10/02.