Physalolactone B

Base Information

Chemical Name:Physalolactone B
CAS No.:78916-78-6
Molecular Formula:C₃₀H₄₄O₆
Molecular Weight:500.676
Hs Code.:
Wikidata:Q104915134
Metabolomics Workbench ID:75640
Mol file:78916-78-6.mol

Synonyms:Physalolactone B;14-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-3-yl acetate;CHEBI:168104;LMST01160013;[17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

Suppliers and Price of Physalolactone B

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 0 raw suppliers

Chemical Property of Physalolactone B

Chemical Property:

Vapor Pressure:1.24E-18mmHg at 25°C
Boiling Point:632.1°C at 760 mmHg
Flash Point:200.8°C
Density:1.19g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:500.31378912
Heavy Atom Count:36
Complexity:1010

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC(=O)C)C)C)O)C

Technology Process of Physalolactone B

There total 19 articles about Physalolactone B 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: 50.0%

: 1α,3β-diacetoxy-20α_F-hydroxy-20R,22R-witha-5,24-dienolide

: 78916-78-6
1α-monoacetyl withanolide

Guidance literature:: With sodium carbonate; In methanol; for 2h; Ambient temperature;
DOI:10.1016/S0031-9422(00)80538-5

Reference yield:

: 145-13-1
Pregnenolone

: 78916-78-6
1α-monoacetyl withanolide

Guidance literature:: Multi-step reaction with 15 steps

1: 28 g / NaBH₄ / methanol; tetrahydrofuran / 0.67 h / 0 °C

2: 61 percent / dichlorodicyanobenzoquinone / dioxane / 8 h / Heating

3: toluene-p-sulphonic acid / CH₂Cl₂ / 3 h / Ambient temperature

4: 83 percent / 30percent H₂O₂, NaOH / methanol / 15 °C

5: 1.) liquid NH₃, Li, 2.) NH₄Cl / 1.) THF, -78 deg C -> -40 deg C, 20 min, 2.) 2 h

6: N,N-diethylcyclohexylamine / dioxane / 6 h / Heating

7: 2M HCl / methanol / 2 h / Ambient temperature

8: 80 percent / pyridinium chlorochromate, AcONa / CH₂Cl₂ / 3 h / Ambient temperature

9: 1.) n-BuLi / 1.) THF, - 5 deg C, 2.) -5 deg C, 8 h

10: 85 percent / HgO, BF₃-ether / tetrahydrofuran / 0.5 h / Heating

11: 81 percent / N,N-diethylcyclohexylamine / dioxane / 8 h / Heating

12: 1.) LDA, HMPA / 1.) THF, - 78 deg C, 1 h, 2.) -78 deg C, 6 h

13: 82 percent / 6M HCl / tetrahydrofuran / 3 h / Ambient temperature

14: 90 percent / imidazole / dimethylformamide / 1 h / Ambient temperature

15: 1.) pyridine, 2.) 75percent AcOH / 1.) room temperature, 4 h, 2.) THF, H₂O, 40 deg C, 1 h

With pyridine; 1H-imidazole; hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; sodium tetrahydroborate; n-butyllithium; diethyl-cyclohexyl-amine; boron trifluoride diethyl etherate; ammonia; dihydrogen peroxide; sodium acetate; lithium; ammonium chloride; toluene-4-sulfonic acid; acetic acid; pyridinium chlorochromate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; mercury(II) oxide; lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 59042-34-1
3β,20-dihydroxypregn-5-ene

: 78916-78-6
1α-monoacetyl withanolide

Guidance literature:: Multi-step reaction with 14 steps

1: 61 percent / dichlorodicyanobenzoquinone / dioxane / 8 h / Heating

2: toluene-p-sulphonic acid / CH₂Cl₂ / 3 h / Ambient temperature

3: 83 percent / 30percent H₂O₂, NaOH / methanol / 15 °C

4: 1.) liquid NH₃, Li, 2.) NH₄Cl / 1.) THF, -78 deg C -> -40 deg C, 20 min, 2.) 2 h

5: N,N-diethylcyclohexylamine / dioxane / 6 h / Heating

6: 2M HCl / methanol / 2 h / Ambient temperature

7: 80 percent / pyridinium chlorochromate, AcONa / CH₂Cl₂ / 3 h / Ambient temperature

8: 1.) n-BuLi / 1.) THF, - 5 deg C, 2.) -5 deg C, 8 h

9: 85 percent / HgO, BF₃-ether / tetrahydrofuran / 0.5 h / Heating

10: 81 percent / N,N-diethylcyclohexylamine / dioxane / 8 h / Heating

11: 1.) LDA, HMPA / 1.) THF, - 78 deg C, 1 h, 2.) -78 deg C, 6 h

12: 82 percent / 6M HCl / tetrahydrofuran / 3 h / Ambient temperature

13: 90 percent / imidazole / dimethylformamide / 1 h / Ambient temperature

14: 1.) pyridine, 2.) 75percent AcOH / 1.) room temperature, 4 h, 2.) THF, H₂O, 40 deg C, 1 h

With pyridine; 1H-imidazole; hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; n-butyllithium; diethyl-cyclohexyl-amine; boron trifluoride diethyl etherate; ammonia; dihydrogen peroxide; sodium acetate; lithium; ammonium chloride; toluene-4-sulfonic acid; acetic acid; pyridinium chlorochromate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; mercury(II) oxide; lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide;