9-Oxabicyclo[3.3.1]nonane-2,6-diol

Base Information

• Chemical Name: 9-Oxabicyclo[3.3.1]nonane-2,6-diol
• CAS No.: 15458-61-4
• Molecular Formula: C8H14 O3
• Molecular Weight: 158.197
• Hs Code.: 2932999099
• European Community (EC) Number: 239-478-2
• DSSTox Substance ID: DTXSID30935018
• Nikkaji Number: J317.924I
• Mol file: 15458-61-4.mol

Synonyms:9-Oxabicyclo[3.3.1]nonane-2,6-diol;15458-61-4;EINECS 239-478-2;9-Oxabicyclo(3.3.1)nonane-2,6-diol;Oprea1_199004;SCHEMBL15103116;DTXSID30935018;9-oxa-bicyclo[3.3.1]nonane-2,6-diol;EU-0002266;A901511;SR-01000406440;SR-01000406440-1

Chemical Property of 9-Oxabicyclo[3.3.1]nonane-2,6-diol

Chemical Property:

• Vapor Pressure: 1.79E-05mmHg at 25°C
• Boiling Point: 325.3°Cat760mmHg
• Flash Point: 150.6°C
• PSA: 49.69000
• Density: 1.258g/cm³
• LogP: 0.04960
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

9-OXABICYCLO[3.3.1]NONANE-4,8-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(CCC(C1O)O2)O

Technology Process of 9-Oxabicyclo[3.3.1]nonane-2,6-diol

There total 4 articles about 9-Oxabicyclo[3.3.1]nonane-2,6-diol 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:

cyclo-octa-1,5-diene (5259-72-3,10060-40-9,111-78-4) → 9-Oxa-bicyclo<3.3.1>nonan-2,6-diol (15458-61-4,652132-98-4,733011-94-4) + 9-oxabicyclo[4.2.1]nonane-2,5-diol (652132-97-3)

Guidance literature:

With formic acid; dihydrogen peroxide; at 50 ℃; for 48h; Overall yield = 85 %; Cooling with ice;

DOI:10.21577/0103-5053.20170114

Reference yield:

→ 9-Oxa-bicyclo<3.3.1>nonan-2,6-diol (15458-61-4,652132-98-4,733011-94-4)

Guidance literature:

aus 1,5-Cyclooctadein 1) Ameisensaeure/ H2O2 2) Verseifen mit NaOH;

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + exo,exo-9-oxa-bicyclo[3.3.1]nonane-2,6-diol (652132-98-4,733011-94-4) → (1R,2S,5R,6S)-9-oxa-bicyclo[3.3.1]nonane-2,6-diol (15458-61-4,19771-18-7,20797-77-7,149019-72-7,652132-98-4,733011-94-4) + (1R,2S,5R,6S)-(-)-2,6-diacetoxy-9-oxa-bicyclo[3.3.1]nonan (545401-86-3) + (1S,2R,5S,6R)-(+)-9-oxa-bicyclo[3.3.1]nonane-2,6-diol (652132-98-4,733011-94-4) + (1S,2R,5S,6R)-2,6-diacetoxy-9-oxa-bicyclo[3.3.1]nonan

Guidance literature:

With Candida rugosa lipase; at 20 ℃; for 8h; Further byproducts given;

DOI:10.1016/S0040-4039(02)02876-9

upstream raw materials:

cyclo-octa-1,5-diene

vinyl acetate

exo,exo-9-oxa-bicyclo[3.3.1]nonane-2,6-diol