(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

Base Information

Chemical Name:(1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
CAS No.:19888-34-7
Molecular Formula:C₁₅H₂₄O
Molecular Weight:220.355
Hs Code.:
European Community (EC) Number:866-517-6
Metabolomics Workbench ID:48105
Wikidata:Q105227691

Synonyms:Humulene epoxide II;19888-34-7;SCHEMBL24110058;FS-9521

Suppliers and Price of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

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

Crysdot
HumuleneepoxideII 95+%
5mg
$ 730.00

Arctom
HumuleneepoxideII
5mg
$ 463.00

Arctom
HumuleneepoxideII ≥98%
5mg
$ 282.00

Total 15 raw suppliers

Chemical Property of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

Chemical Property:

Melting Point:168-169.5℃
Boiling Point:285.6℃
PSA：12.53000
Density:0.907±0.06 g/cm3(Predicted)
LogP:4.24660
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:220.182715385
Heavy Atom Count:16
Complexity:324

Purity/Quality:

99% ^*data from raw suppliers

HumuleneepoxideII 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C
Isomeric SMILES:C/C/1=C\CC(/C=C/C[C@@]2([C@@H](O2)CC1)C)(C)C

Technology Process of (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

There total 7 articles about (1R,3E,7E,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene 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: 100.0%

: 1139-30-6
caryophyllene oxide

: 19888-34-7,67737-67-1,90820-79-4,108101-44-6,831227-95-3
[1R-(1R*,3E,7E,11R*)]-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

Guidance literature:: With phenylsilane; In benzene; for 2h;
DOI:10.1021/acs.orglett.8b03259

Reference yield:

: 60545-11-1,108101-56-0
2S*,3S*,6S*,7S*,9S*,10S*-humulene 2,3;6,7;9,10-triepoxide

: humulene-4,5-monoepoxide

: 60545-13-3,108101-50-4,108101-52-6,124989-14-6,124989-15-7
6S*,7S*,9S*,10S*-humulene 6,7;9,10-diepoxide

: 6753-98-6
α-caryophyllene

: 19888-34-7,67737-67-1,90820-79-4,108101-44-6,831227-95-3
humulene-1,2-monoepoxide

Guidance literature:: Further byproducts.;
DOI:10.1021/np0501839

Reference yield:

: 6753-98-6
α-caryophyllene

: 19888-34-7,67737-67-1,90820-79-4,108101-44-6,831227-95-3
[1R-(1R*,3E,7E,11R*)]-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

: 108101-44-6,831227-95-3
(1S,2S)-1,2-epoxyhumulene

Guidance literature:: With borax; Oxone; Shi's ketone; tetra(n-butyl)ammonium hydrogensulfate; edetate disodium; potassium carbonate; In acetonitrile; at -10 ℃; for 3h; Overall yield = 41 %; Overall yield = 100 mg;
DOI:10.1002/anie.201502302