9-Oxabicyclo[6.1.0]nonan-4-ol

Base Information

• Chemical Name: 9-Oxabicyclo[6.1.0]nonan-4-ol
• CAS No.: 2616-81-1
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.198
• NSC Number: 119488
• DSSTox Substance ID: DTXSID60297939
• Mol file: 2616-81-1.mol

Synonyms:9-Oxabicyclo[6.1.0]nonan-4-ol;2616-81-1;NSC119488;DTXSID60297939;SVRHYAOVRQFLJU-UHFFFAOYSA-N;NSC-119488

Chemical Property of 9-Oxabicyclo[6.1.0]nonan-4-ol

Chemical Property:

• Vapor Pressure: 0.000799mmHg at 25°C
• Boiling Point: 272.2°C at 760 mmHg
• Flash Point: 126.3°C
• Density: 1.104g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC2C(C1)O2)O

Technology Process of 9-Oxabicyclo[6.1.0]nonan-4-ol

There total 3 articles about 9-Oxabicyclo[6.1.0]nonan-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: 43.0%

(Z)-cyclooct-4-enol (4277-34-3) → 9-oxabicyclo[6.1.0]nonan-4ol (2616-81-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

DOI:10.1021/ja980425+

Reference yield:

4,5-epoxycyclo-octyl hydroperoxide (127847-54-5,127912-25-8) → 9-oxa-bicyclo[6.1.0]nonan-4-ol (2616-81-1,69853-85-6) + (1S,2S,6S)-9-Oxa-bicyclo[4.2.1]nonan-2-ol (29359-87-3,29359-88-4,39637-86-0,90191-65-4) + (1S,2S,5R)-9-Oxa-bicyclo[3.3.1]nonan-2-ol (31598-76-2,31598-90-0,39637-87-1,39637-89-3,133521-31-0) + 9-oxa-bicyclo[6.1.0]nonan-4-one (28399-88-4,34958-38-8)

Guidance literature:

In dichloromethane-d2; Mechanism;

DOI:10.1039/c39900000416

Reference yield:

→ 9-oxabicyclo[6.1.0]nonan-4ol (2616-81-1)

Guidance literature:

DOI:10.1021/ja01092a018

upstream raw materials:

(Z)-cyclooct-4-enol

4,5-epoxycyclo-octyl hydroperoxide

Downstream raw materials:

9-oxa-bicyclo[6.1.0]nonan-4-one