2-Isopropyl-5-methylhex-2-en-1-ol

Base Information

• Chemical Name: 2-Isopropyl-5-methylhex-2-en-1-ol
• CAS No.: 40853-53-0
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• European Community (EC) Number: 255-111-9
• Mol file: 40853-53-0.mol

Synonyms:2-Isopropyl-5-methylhex-2-en-1-ol;Isodihydrolavandulol;Isodihydro lavandulol;2-Isopropyl-5-methyl-2-hexene-1-ol;BRN 1747799;EINECS 255-111-9;2-Isopropyl-5-methyl-2-hexen-1-ol;5-Methyl-2-(1-methylethyl)-2-hexen-1-ol;2-HEXEN-1-OL, 2-ISOPROPYL-5-METHYL-;4-01-00-02192 (Beilstein Handbook Reference);40853-53-0;2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-;2 - isopropyl - 5 - methylhex - 2 - en - 1 - ol;SCHEMBL295674;LS-75601

Chemical Property of 2-Isopropyl-5-methylhex-2-en-1-ol

Chemical Property:

• Vapor Pressure: 0.0768mmHg at 25°C
• Melting Point: -4.05°C (estimate)
• Refractive Index: 1.4452 (estimate)
• Boiling Point: 201.2°Cat760mmHg
• Flash Point: 81.2°C
• PSA: 20.23000
• Density: 0.843g/cm³
• LogP: 2.60720
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC=C(CO)C(C)C
• Isomeric SMILES: CC(C)C/C=C(/CO)\C(C)C

Technology Process of 2-Isopropyl-5-methylhex-2-en-1-ol

There total 1 articles about 2-Isopropyl-5-methylhex-2-en-1-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:

isovaleraldehyde (590-86-3) → 2-isopropyl-5-methyl-2-hexen-1-ol (40853-53-0)

Guidance literature:

With sodium carbonate; L-proline; In dimethylsulfoxide-d6; at 26.84 ℃; Kinetics;

DOI:10.1021/jacs.5b03420

Reference yield: 48.0%

2-isopropyl-5-methyl-2-hexen-1-ol (40853-53-0) + chloroamine-T (127-65-1) → (3-isobutyl-2-isopropyl-1-tosylaziridin-2-yl)methanol

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃;

DOI:10.1021/ol070658i

Reference yield:

2-isopropyl-5-methyl-2-hexen-1-ol (40853-53-0) → 2-cyclopropyl-6-isobutyl-5-isopropyl-1-tosyl-1,6-dihydropyridin-3-yl acetate

Guidance literature:

Multi-step reaction with 5 steps

1: 48 percent / N-bromosuccinimide / acetonitrile / 20 °C

2: Dess-Martin periodinane; NaHCO₃ / CH₂Cl₂ / 1 h / 20 °C

3: BuLi / tetrahydrofuran; hexane / 2 h / 23 °C

4: 725 mg / tetrahydrofuran / 0.33 h / 20 °C

5: 62 percent / PtCl₂ / toluene / 3 h / 100 °C

With N-Bromosuccinimide; n-butyllithium; sodium hydrogencarbonate; Dess-Martin periodane; platinum(II) chloride; In tetrahydrofuran; hexane; dichloromethane; toluene; acetonitrile; 2: Dess-Martin oxidation;

DOI:10.1021/ol070658i

upstream raw materials:

isovaleraldehyde

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