1-Iodo-4-methylcyclohexene

Base Information

Chemical Name:1-Iodo-4-methylcyclohexene
CAS No.:31053-85-7
Molecular Formula:C7H11I
Molecular Weight:222.06700
Hs Code.:2903890090
DSSTox Substance ID:DTXSID10340505
Nikkaji Number:J113.107I
Mol file:31053-85-7.mol

Synonyms:1-Iodo-4-methylcyclohexene;31053-85-7;Cyclohexene, 1-iodo-4-methyl-;1-Iodo-4-methyl-1-cyclohexene;SCHEMBL13821805;DTXSID10340505;1-Iodo-4-methyl-1-cyclohexene #

Suppliers and Price of 1-Iodo-4-methylcyclohexene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 1-Iodo-4-methylcyclohexene

Chemical Property:

Boiling Point:90-95 °C(Press: 36 Torr)
PSA：0.00000
Density:1.59±0.1 g/cm3(Predicted)
LogP:3.12530
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:221.99055
Heavy Atom Count:8
Complexity:105

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC(=CC1)I

Technology Process of 1-Iodo-4-methylcyclohexene

There total 2 articles about 1-Iodo-4-methylcyclohexene 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:

: 589-92-4
1-methylcyclohexan-4-one

: 31053-85-7
1-iodo-4-methyl-1-cyclohexene

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / PCl₅ / CH₂Cl₂

2: 1.) Li; 2.) I₂ / 1.) ether; 2.) ether, THF

With phosphorus pentachloride; iodine; lithium; In dichloromethane;
DOI:10.1021/ja00224a025

Reference yield:

: 31053-83-5
4-methyl-1-cyclohexenyl chloride

: 31053-85-7
1-iodo-4-methyl-1-cyclohexene

Guidance literature:: Multistep reaction; (i) Li, Na, Et₂O, (ii) I₂, THF;
DOI:10.1016/0040-4020(72)88141-9

Reference yield: 84.0%

: 75-77-4
chloro-trimethyl-silane

: 31053-85-7
1-iodo-4-methyl-1-cyclohexene

: 85625-08-7
1-(trimethylsilyl)-4-methyl-1-cyclohexene

Guidance literature:: With tert.-butyl lithium; In diethyl ether; pentane; 1.) -78 deg C, 30 min; 2.) 25 deg C over 1 h;
DOI:10.1021/ja00224a025