2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate

Base Information

Chemical Name:2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate
CAS No.:72257-53-5
Molecular Formula:C₁₂H₂₀O₃
Molecular Weight:212.289
Hs Code.:
European Community (EC) Number:276-542-9
DSSTox Substance ID:DTXSID10888119
Nikkaji Number:J1.649.398H,J299.074A
Wikidata:Q67879887
Mol file:72257-53-5.mol

Synonyms:72257-53-5;2-Acetoxy-1,8-cineole;2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate;exo-2-Hydroxycineole acetate;EINECS 276-542-9;(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl) acetate;1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTAN-6-YL ACETATE;2-Oxabicyclo(2.2.2)octan-6-ol, 1,3,3-trimethyl-, acetate;2-Oxabicyclo(2.2.2)octan-6-ol, 1,3,3-trimethyl-, 6-acetate;1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-yl acetate;SCHEMBL3505220;DTXSID10888119;FT-0610940;Q67879887;1,3,3-trimethyl-2-oxabicyclo[2,2,2]oct-6-yl acetate;1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol acetate;Acetic acid 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl ester;(E)-Acetic acid (1S*,4R*,6S*)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6-yl ester

Suppliers and Price of 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate

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

Total 5 raw suppliers

Chemical Property of 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate

Chemical Property:

Vapor Pressure:0.0182mmHg at 25°C
Boiling Point:253.5°C at 760 mmHg
Flash Point:99.9°C
PSA：35.53000
Density:1.05g/cm³
LogP:2.28570
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:212.14124450
Heavy Atom Count:15
Complexity:285

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CC2CCC1(OC2(C)C)C

Technology Process of 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate

There total 57 articles about 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, acetate 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: 73.0%

: 75-36-5
acetyl chloride

: 18679-48-6,38223-62-0,38223-63-1,54164-88-4,60761-00-4,66965-45-5,92999-78-5,103665-39-0,109009-75-8
(+/-)-β2-hydroxy-1,8-cineole

: 72257-53-5
cis-2-acetoxy-1,8-cineole

Guidance literature:: With dmap; In dichloromethane; at 0 - 5 ℃;
DOI:10.1002/cplu.201200253

Reference yield: 69.0%

: 75-36-5
acetyl chloride

: 18679-48-6,38223-62-0,38223-63-1,54164-88-4,60761-00-4,66965-45-5,92999-78-5,103665-39-0,109009-75-8
2-endo-hydroxy-1,8-cineole ((1R,6R)-1,3,3-trimethyl-2-oxabicyclo-[2.2.2]octan-6-ol)

: 72257-53-5
(+/-)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol acetate

Guidance literature:: With dmap; In dichloromethane; at 0 - 5 ℃;
DOI:10.1002/cplu.201200253

Reference yield: 43.0%

: 72257-53-5
(+/-)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol acetate

: 72257-53-5
(-)-α2-acetyloxy-1,8-cineole

: 72257-53-5
(+)-α2-acetyloxy-1,8-cineole

: (-)-α2-hydroxy-1,8-cineole

Guidance literature:: With porcine liver esterase (EC 3.1.1.1); at 37 ℃; for 16h; pH=7; enantioselective reaction; Enzymatic reaction;
DOI:10.1002/cplu.201200253