4-Methyl-6-(2,6,6-trimethyl-1-cyclohexene-1-yl)-5-hexene-1-yne-4-ol

Base Information

• Chemical Name: 4-Methyl-6-(2,6,6-trimethyl-1-cyclohexene-1-yl)-5-hexene-1-yne-4-ol
• CAS No.: 14168-34-4
• Molecular Formula: C16H24 O
• Molecular Weight: 232.3612
• NSC Number: 21534
• DSSTox Substance ID: DTXSID70417868
• Nikkaji Number: J2.781.649E

Synonyms:NSC21534;14168-34-4;SCHEMBL11857992;DTXSID70417868;NSC-21534;4-Methyl-6-(2,6,6-trimethyl-1-cyclohexene-1-yl)-5-hexene-1-yne-4-ol

Chemical Property of 4-Methyl-6-(2,6,6-trimethyl-1-cyclohexene-1-yl)-5-hexene-1-yne-4-ol

Chemical Property:

• Vapor Pressure: 3.84E-06mmHg at 25°C
• Boiling Point: 345.5°C at 760 mmHg
• Flash Point: 326.7°C
• Density: 0.978g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 232.182715385
• Heavy Atom Count: 17
• Complexity: 389

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-6-(2,6,6-trimethyl-1-cyclohexene-1-yl)-5-hexene-1-yne-4-ol

There total 2 articles about 4-Methyl-6-(2,6,6-trimethyl-1-cyclohexene-1-yl)-5-hexene-1-yne-4-ol 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: 97.0%

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (79-77-6,14901-07-6) + 2-propynyl chloride (624-65-7) → (E)-3-Methyl-1-(2,6,6-trimethyl-cyclohex-1-enyl)-hex-1-en-5-yn-3-ol (14168-34-4)

Guidance literature:

With 2,4,6-trimethyl-pyridine; bis(cyclopentadienyl)titanium dichloride; manganese; chloro-trimethyl-silane; In tetrahydrofuran; for 6h; Inert atmosphere;

DOI:10.1002/adsc.200900479

Reference yield:

→ (E)-3-Methyl-1-(2,6,6-trimethyl-cyclohex-1-enyl)-hex-1-en-5-yn-3-ol (14168-34-4)

Guidance literature:

HC-=CCH2Br, 1) Al/THF in Ggw. v. HgCl2, 2) β-Ionen;

Reference yield:

(E)-3-Methyl-1-(2,6,6-trimethyl-cyclohex-1-enyl)-hex-1-en-5-yn-3-ol (14168-34-4) → 6-(2,6,6-Trimethyl-1-cyclohexenyl)-4-methyl-3,5-hexadienin (950-51-6)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

2-propynyl chloride

Downstream raw materials:

6-(2,6,6-Trimethyl-1-cyclohexenyl)-4-methyl-3,5-hexadienin

4-methyl-6-(2,6,6-trimethyl-cyclohex-2-enylidene)-hex-4-en-1-yne

(6E,8E)-1,1-Dimethoxy-3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-6,8-dien-4-yn-3-ol

9-(2,6,6-Trimethylcyclohexen-1-yl)-3,7-dimethyl-3-hydroxy-1,1-dimethoxynona-4,6,8-trien

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