enokipodin D

Base Information

Chemical Name:enokipodin D
CAS No.:359701-29-4
Molecular Formula:C₁₅H₁₈O₄
Molecular Weight:262.306
Hs Code.:
DSSTox Substance ID:DTXSID901318063
Nikkaji Number:J1.451.875D
Wikidata:Q104974840
Metabolomics Workbench ID:102068
ChEMBL ID:CHEMBL470896

Synonyms:enokipodin D;359701-29-4;CHEMBL470896;CHEBI:174463;DTXSID901318063;2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohexa-2,5-diene-1,4-dione

Suppliers and Price of enokipodin D

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
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price

Total 0 raw suppliers

Chemical Property of enokipodin D

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:262.12050905
Heavy Atom Count:19
Complexity:551

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)C(=CC1=O)C2(C(CC(=O)C2(C)C)O)C
Isomeric SMILES:CC1=CC(=O)C(=CC1=O)[C@]2([C@@H](CC(=O)C2(C)C)O)C

Technology Process of enokipodin D

There total 4 articles about enokipodin D 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: 78.0%

: 358978-68-4
(3R,4R)-3-(2,5-dimethoxy-4-methylphenyl)-4-hydroxy-2,2,3-trimethylcyclopentanone

: 359701-29-4
2-methyl-5-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-1,4-benzoquinone

Guidance literature:: With ammonium cerium(IV) nitrate; In water; acetonitrile; at 0 - 20 ℃;
DOI:10.1271/bbb.69.374

Reference yield:

: 733001-87-1
(1S,4R,5S)-4-(2,5-dimethoxy-4-methylphenyl)-3,3,4-trimethyl-6-oxa-bicyclo[3.1.0]hexan-2-one

: 359701-29-4
2-methyl-5-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-1,4-benzoquinone

Guidance literature:: Multi-step reaction with 2 steps

1.1: PhSeSePh; NaBH₄; acetic acid / ethanol / 1 h / 20 °C

1.2: 68 percent / oxygen / ethanol; ethyl acetate / 0.08 h

2.1: 78 percent / ceric ammonium nitrate / acetonitrile; H₂O / 0 - 20 °C

With sodium tetrahydroborate; ammonium cerium(IV) nitrate; diphenyl diselenide; acetic acid; In ethanol; water; acetonitrile;
DOI:10.1271/bbb.69.374

Reference yield:

: 733001-90-6
(R)-4-(2,5-dimethoxy-4-methylphenyl)-2-methoxy-4,5,5-trimethylcyclopent-2-enone

: 359701-29-4
2-methyl-5-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-1,4-benzoquinone

Guidance literature:: Multi-step reaction with 3 steps

1: 51 percent / aq. H₂O₂; NaOH / methanol / 6.5 h / 60 °C

2: 68 percent / PhSeSePh; NaBH₄ / ethanol; acetic acid / 1 h / 20 °C

3: 78 percent / CAN / acetonitrile; H₂O / 0.5 h / 20 °C

With sodium hydroxide; sodium tetrahydroborate; ammonium cerium(IV) nitrate; diphenyl diselenide; dihydrogen peroxide; In methanol; ethanol; water; acetic acid; acetonitrile;
DOI:10.1016/j.tetlet.2004.04.191