Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]-

Base Information

Chemical Name:Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]-
CAS No.:25576-26-5
Molecular Formula:C₁₆H₂₂
Molecular Weight:214.351
Hs Code.:
DSSTox Substance ID:DTXSID901154055

Synonyms:DTXSID901154055;Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]-;25576-26-5

Suppliers and Price of Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]-

Supply Marketing:

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

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Chemical Property of Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]-

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:214.172150702
Heavy Atom Count:16
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C=CC(=CC#C)C
Isomeric SMILES:CC1=C(C(CCC1)(C)C)/C=C/C(=C\C#C)/C

Technology Process of Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]-

There total 10 articles about Cyclohexene, 1,3,3-trimethyl-2-[(1E,3Z)-3-methyl-1,3-hexadien-5-ynyl]- 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:

: 2-((1E,3Z,5Z)-6-Iodo-3-methyl-hexa-1,3,5-trienyl)-1,3,3-trimethyl-cyclohexene

: 25576-26-5
(3Z,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5-hexadien-1-yne

Guidance literature:: With sodium hexamethyldisilazane;
DOI:10.1055/s-2001-14908

Reference yield:

: 303779-99-9
(E)-2-(2,6,6-trimethylcyclohexen-1-yl)-ethenyl (trifluoromethyl)sulfonate

: 25576-26-5
(3Z,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5-hexadien-1-yne

Guidance literature:: Multi-step reaction with 4 steps

1.1: 87 percent / Ph₃As / Pd₂(dba)3*CHCl₃ / dimethylformamide / 2 h / 20 °C

2.1: 75 percent / MnO₂ / diethyl ether / 4 h

3.1: NaN(TMS)2 / tetrahydrofuran / 0.33 h / -78 °C

3.2: HMPA / tetrahydrofuran / 0.33 h

4.1: 170 mg / NaN(TMS)2 / tetrahydrofuran / 0.83 h / 20 °C

With manganese(IV) oxide; triphenyl-arsane; sodium hexamethyldisilazane; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide; 1.1: Stille coupling / 3.2: Wittig reaction;
DOI:10.1016/j.bmc.2004.04.047

Reference yield:

: 79-77-6,14901-07-6
(E)-β-ionone

: 25576-26-5
(3Z,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5-hexadien-1-yne

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Mg / 1.) HgCl₂ / 1.) ether, 30 min, 2.) ether, 45 min

2: 90 percent / DMAP / toluene / 1 h / Ambient temperature

3: NaNH₂, 1,5-diazabicyclo<4.3.0>non-5-ene / toluene / 0.42 h / Heating

With dmap; DBN; sodium amide; magnesium; mercury dichloride; In toluene;