Cyclohexene, 4-(1,1-dimethylethyl)-1-iodo-

Base Information

• Chemical Name: Cyclohexene, 4-(1,1-dimethylethyl)-1-iodo-
• CAS No.: 96133-27-6
• Molecular Formula: C10H17I
• Molecular Weight: 264.149
• DSSTox Substance ID: DTXSID10446172
• Nikkaji Number: J1.219.545A,J1.331.471C
• Mol file: 96133-27-6.mol

Synonyms:Cyclohexene, 4-(1,1-dimethylethyl)-1-iodo-;4-tert-butyl-1-iodocyclohexene;96133-27-6;1-Iodo-4-tert-butylcyclohexene;SCHEMBL13782375;4-t-butyl-1-iodocyclohex-1-ene;DTXSID10446172;4-tert-butyl-1-iodo-1-cyclohexene;(E)-1-Iodo-4-tert-butyl-1-cyclohexene

Chemical Property of Cyclohexene, 4-(1,1-dimethylethyl)-1-iodo-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 264.03750
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(=CC1)I

Technology Process of Cyclohexene, 4-(1,1-dimethylethyl)-1-iodo-

There total 15 articles about Cyclohexene, 4-(1,1-dimethylethyl)-1-iodo- 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: 100.0%

4-tert-butyl-1-cyclohexenyl(phenyl)(tetrafluoroborato)-λ3-iodane → 4-tert-butyl-1-iodo-1-cyclohexene (96133-27-6)

Guidance literature:

With copper(l) iodide; potassium iodide; In N,N-dimethyl-formamide; at 25 ℃; for 1h;

DOI:10.1016/S0040-4039(00)95096-2 DOI:10.1016/S0040-4020(01)86659-X

Reference yield: 96.0%

1-trifluoromethanesulfonyloxy-4-t-butylcyclohexene (77412-96-5) → 4-tert-butyl-1-iodo-1-cyclohexene (96133-27-6)

Guidance literature:

With [Cp*Ru(CH₃CN)3]OTf; sodium iodide; at 25 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/ja307771d

Reference yield: 89.0%

1-triethylgermyl-4-t-butylcyclohexene (96133-26-5) → 4-tert-butyl-1-iodo-1-cyclohexene (96133-27-6)

Guidance literature:

With iodine; In dichloromethane; at 25 ℃; for 2h;

DOI:10.1246/cl.1985.53

upstream raw materials:

4-(tert-butyl)cyclohex-1-en-1-yl diethyl phosphate

1-triethylgermyl-4-t-butylcyclohexene

methyl 1-indanone-2-carboxylate

tetra-n-butylammonium cyanide

Downstream raw materials:

4-(tert-butyl)-1-vinyl-1-cyclohexene

4-tert-butylcylohexene

4-(tert-butyl)cyclohex-1-enecarbaldehyde

1-(4-tert-butylcyclohex-1-enyl)-2-methylbenzene