2,6-Dimethyl-6-hepten-4-YN-3-OL

Base Information

Chemical Name:2,6-Dimethyl-6-hepten-4-YN-3-OL
CAS No.:96850-54-3
Molecular Formula:C₉H₁₄O
Molecular Weight:138.21
Hs Code.:2905290000
DSSTox Substance ID:DTXSID50461844
Mol file:96850-54-3.mol

Synonyms:2,6-DIMETHYL-6-HEPTEN-4-YN-3-OL;96850-54-3;2,6-dimethylhept-6-en-4-yn-3-ol;DTXSID50461844;MFCD00041604;AKOS006229269;FT-0610695

Suppliers and Price of 2,6-Dimethyl-6-hepten-4-YN-3-OL

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

American Custom Chemicals Corporation
2,6-DIMETHYL-6-HEPTEN-4-YN-3-OL 95.00%
5MG
$ 501.42

Total 1 raw suppliers

Chemical Property of 2,6-Dimethyl-6-hepten-4-YN-3-OL

Chemical Property:

Vapor Pressure:0.0873mmHg at 25°C
Refractive Index:1.469
Boiling Point:199.1°C at 760 mmHg
Flash Point:80.4°C
PSA：20.23000
Density:0.9g/cm³
LogP:1.58280
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:138.104465066
Heavy Atom Count:10
Complexity:177

Purity/Quality:

97% ^*data from raw suppliers

2,6-DIMETHYL-6-HEPTEN-4-YN-3-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C#CC(=C)C)O

Technology Process of 2,6-Dimethyl-6-hepten-4-YN-3-OL

There total 2 articles about 2,6-Dimethyl-6-hepten-4-YN-3-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: 95.0%

: 78-85-3,25120-30-3
2-methylpropenal

: 598-23-2
3-methyl-but-1-yne

: 96850-54-3
2,6-dimethyl-1-hepten-4-yn-3-ol

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 1h;

Reference yield:

: 78-85-3,25120-30-3
2-methylpropenal

: 65108-24-9
1-lithio-3-methyl-1-butyne

: 96850-54-3
2,6-dimethyl-1-hepten-4-yn-3-ol

Guidance literature:: In tetrahydrofuran; 1.) -30 deg C; 2.) rt 1 h;

Reference yield:

: 96850-54-3
2,6-dimethyl-1-hepten-4-yn-3-ol

: (1S,5R,6S)-5-Methyl-6-((Z)-3-methyl-but-1-enyl)-3-phenylselanyl-bicyclo[3.1.0]hexan-2-one

Guidance literature:: Multi-step reaction with 7 steps

1: 58 percent / propanoic acid / 20 h / 130 °C

2: 68 percent / potassium hydroxide / H₂O; methanol / 4 h / Heating

3: 95 percent / oxalyl chloride / hexane / 1 h / Heating

4: 250 mg / diethyl ether / 1.) 0 deg C, 30 min; 2.) r.t., 1 h

5: 178 mg / copper(II)acetylacetonate*H₂O / benzene / 1 h / Heating

6: 91 percent / H₂ / Lindlar's catalyst / pentane / 3 h / Ambient temperature

7: lithium diisopropylamide / tetrahydrofuran / 1.) -78 deg C, 30 min; 2.) 0 deg C, 30 min

With potassium hydroxide; oxalyl dichloride; hydrogen; propionic acid; lithium diisopropyl amide; copper acetylacetonate; Lindlar's catalyst; In tetrahydrofuran; methanol; diethyl ether; hexane; water; pentane; benzene;