6,6-Dimethylbicyclo[3.1.1]heptan-2-OL

Base Information

• Chemical Name: 6,6-Dimethylbicyclo[3.1.1]heptan-2-OL
• CAS No.: 28664-08-6
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• Hs Code.: 2906199090
• European Community (EC) Number: 249-135-9
• NSC Number: 251000
• DSSTox Substance ID: DTXSID80951324
• Nikkaji Number: J19.983D
• Mol file: 28664-08-6.mol

Synonyms:nopinol

Chemical Property of 6,6-Dimethylbicyclo[3.1.1]heptan-2-OL

Chemical Property:

• Vapor Pressure: 0.0875mmHg at 25°C
• Boiling Point: 199.1°Cat760mmHg
• Flash Point: 78.8°C
• PSA: 20.23000
• Density: 0.997g/cm³
• LogP: 1.80340
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC(C1C2)O)C

Technology Process of 6,6-Dimethylbicyclo[3.1.1]heptan-2-OL

There total 10 articles about 6,6-Dimethylbicyclo[3.1.1]heptan-2-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: 89.0%

trans-peroxymyrtanic acid (103533-23-9) → 2-(3-cyclohexenyl)-2-propanol (90645-55-9) + 6,6-dimethylbicyclo<3.1.1>heptan-2α-ol (28664-08-6,31147-63-4,31147-64-5,51703-63-0,70223-29-9,70223-30-2,74984-18-2,74984-19-3) + 6,6-dimethylbicyclo<3.1.1>heptan-2β-ol (51703-63-0)

Guidance literature:

In cyclohexane; for 0.5h; Product distribution; Mechanism; Rate constant; Heating; also for cis isomer; var. conditions;

DOI:10.1021/jo00369a006

Reference yield: 51.0%

6,6-dimethylbicyclo<3.1.1>heptan-2β-ol (51703-63-0) → 6,6-dimethylbicyclo<3.1.1>heptan-2α-ol (28664-08-6,31147-63-4,31147-64-5,51703-63-0,70223-29-9,70223-30-2,74984-18-2,74984-19-3)

Guidance literature:

With aluminum isopropoxide; In isopropyl alcohol; acetone; at 120 ℃; for 96h;

DOI:10.1021/ja00154a010

Reference yield:

nopinone (24903-95-5) → 6,6-dimethyl-norpinan-2-ol (28664-08-6)

Guidance literature:

With iso-butanol; Sn-beta (2 wt percent SnO₂) zeolite; at 100 ℃; for 6h;

DOI:10.1016/S0021-9517(03)00014-9

upstream raw materials:

nopinone

diethyl ether

trans-peroxymyrtanic acid

6,6-dimethylbicyclo<3.1.1>heptan-2β-ol

Downstream raw materials:

apopinene

7,7-dimethylbicyclo<2.2.1>heptan-endo-2-ol

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