Shyobunone

Base Information Edit

Chemical Name:Shyobunone
CAS No.:21698-44-2
Molecular Formula:C15H24O
Molecular Weight:220.355
Hs Code.:2914299000
UNII:92NQU4WN5A
DSSTox Substance ID:DTXSID401019945
Nikkaji Number:J16.242F
Wikidata:Q27136638
Metabolomics Workbench ID:125002
ChEMBL ID:CHEMBL1814552
Mol file:21698-44-2.mol

Synonyms:SHYOBUNONE;21698-44-2;Shyobunon;(+)-Shyobunone;92NQU4WN5A;CHEBI:68148;(2S,3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one;p-Menthan-3-one, 2-isopropenyl-1-vinyl-, (1S,2R,4S)-;(2S,3S,6S)-3-Ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)cyclohexanone;Cyclohexanone, 3-ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)-, (2S,3S,6S)-;Cyclohexanone, 3-ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)-, (2S-(2alpha,3beta,6alpha))-;UNII-92NQU4WN5A;CHEMBL1814552;DTXSID401019945;AKOS032962114;Q27136638;CYCLOHEXANONE, 3-ETHENYL-3-METHYL-2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)-, (2S-(2.ALPHA.,3.BETA.,6.ALPHA.))-

Suppliers and Price of Shyobunone

Supply Marketing:Edit

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

DC Chemicals
Shyobunone >98%,StandardReferencesGrade
20 mg
$ 280.00

Crysdot
Shyobunone 95+%
5mg
$ 590.00

Biorbyt Ltd
Shyobunone >98%,Standard References Grade
20 mg
$ 569.50

Arctom
Shyobunone ≥98%
5mg
$ 373.00

Arctom
Shyobunone ≥98%
5mg
$ 226.00

Total 20 raw suppliers

Chemical Property of Shyobunone Edit

Chemical Property:

Boiling Point:290.2±39.0 °C(Predicted)
PSA：17.07000
Density:0.918±0.06 g/cm3(Predicted)
LogP:4.00610
Storage Temp.:2-8°C
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:220.182715385
Heavy Atom Count:16
Complexity:313

Purity/Quality:

98%min ^*data from raw suppliers

Shyobunone >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1CCC(C(C1=O)C(=C)C)(C)C=C
Isomeric SMILES:CC(C)[C@@H]1CC[C@@]([C@@H](C1=O)C(=C)C)(C)C=C

Technology Process of Shyobunone

There total 27 articles about Shyobunone 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: 62.0%

: 74211-90-8
1,1-Ethylenedioxy-6β-isopropyl-2β-isopropenyl-3β-methyl-3α-vinylcyclohexane

: 21698-44-2,39020-72-9,58437-65-3,58437-66-4,64141-34-0,65794-23-2,65830-01-5,69427-51-6,69427-52-7,72258-66-3,72258-67-4,74243-52-0
(+/-)-Shyobunone

Guidance literature:: With toluene-4-sulfonic acid; In water; acetone; for 12h; Ambient temperature;

Reference yield:

: 239064-07-4
6α-hydroxyelemol

: 21698-44-2
(2S,3S,6S)-6-isopropyl-3-methyl-2-(prop-1-en-2-yl)-3-vinylcyclohexanone

Guidance literature:: With chromium(VI) oxide; sulfuric acid; In acetone;
DOI:10.1016/S0040-4020(01)98994-X

Reference yield:

: 89-81-6,6091-52-7
piperitone

: 21698-44-2,39020-72-9,58437-65-3,58437-66-4,64141-34-0,65794-23-2,65830-01-5,69427-51-6,69427-52-7,72258-66-3,72258-67-4,74243-52-0
(+/-)-Shyobunone

Guidance literature:: Multi-step reaction with 5 steps

2: 70 percent / toluene-p-sulphonic acid / benzene / Heating

3: PTT / tetrahydrofuran / 0.5 h

4: 50 percent / diethyl ether / 15 h / Ambient temperature

5: 62 percent / toluene-p-sulphonic acid / acetone; H₂O / 12 h / Ambient temperature

With toluene-4-sulfonic acid; In tetrahydrofuran; diethyl ether; water; acetone; benzene;