(E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile

Base Information

Chemical Name:(E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile
CAS No.:173214-57-8
Molecular Formula:C14H17N
Molecular Weight:199.29
Hs Code.:
DSSTox Substance ID:DTXSID90421285
Nikkaji Number:J728.783F
Wikidata:Q82232720
Mol file:173214-57-8.mol

Synonyms:173214-57-8;(E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile;(E)-5-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-4-en-2-ynenitrile;(E)-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-PENT-4-EN-2-YNENITRILE;(4E)-5-(2,6,6-Trimethylcyclohex-1-en-1-yl)pent-4-en-2-ynenitrile;(E)-5-(2,6,6-Trimethylcyclohex-1-en-1-yl)pent-4-en-2-ynenitrile;starbld0001860;DTXSID90421285;LSLSEAKCBXIBNM-WEVVVXLNSA-N;AKOS006292157;5-(2,6,6-Trimethyl-1-cyclohexenyl)-4-penten-2-ynenitrile

Suppliers and Price of (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile

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

TRC
(E)-5-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-4-en-2-ynenitrile
50mg
$ 220.00

Medical Isotopes, Inc.
(E)-5-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-pent-4-en-2-ynenitrile
25 mg
$ 830.00

American Custom Chemicals Corporation
(E)-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PENT-4-EN-2-YNENITRILE 95.00%
250MG
$ 1593.90

American Custom Chemicals Corporation
(E)-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PENT-4-EN-2-YNENITRILE 95.00%
25MG
$ 704.55

Total 3 raw suppliers

Chemical Property of (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile

Chemical Property:

Boiling Point:77-80°C @ 0.5mm
PSA：23.79000
LogP:3.59618
Solubility.:Dichloromethane, Ether, Ethyl Acetate, Hexane
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:199.136099547
Heavy Atom Count:15
Complexity:412

Purity/Quality:

99% ^*data from raw suppliers

(E)-5-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-4-en-2-ynenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C=CC#CC#N
Isomeric SMILES:CC1=C(C(CCC1)(C)C)/C=C/C#CC#N
Uses A novel intermediate of 9-cis retinoids.

Technology Process of (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile

There total 2 articles about (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile 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:

: 79-77-6,14901-07-6
(E)-β-ionone

: 173214-57-8
(E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile

Guidance literature:: Multi-step reaction with 2 steps

2: 1.) n-BuLi / 1.) hexane, THF, -78 deg C, 10 min, 2.) -78 -> 25 deg C

With n-butyllithium;
DOI:10.1021/jo952189g

Reference yield:

: 73395-75-2
(E)-2-(but-1-en-3-ynyl)-1,3,3-trimethylcyclohex-1-ene

: 1122-85-6
phenyl cyanate

: 173214-57-8
(E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynenitrile

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) hexane, THF, -78 deg C, 10 min, 2.) -78 -> 25 deg C;
DOI:10.1021/jo952189g