3-(Acetyloxy)carda-14,20(22)-dienolide

Base Information

Chemical Name:3-(Acetyloxy)carda-14,20(22)-dienolide
CAS No.:4240-51-1
Molecular Formula:C25H34O4
Molecular Weight:398.543
Hs Code.:
NSC Number:137447
DSSTox Substance ID:DTXSID60300518

Synonyms:4240-51-1;3-(acetyloxy)carda-14,20(22)-dienolide;NSC137447;DTXSID60300518;NSC-137447

Suppliers and Price of 3-(Acetyloxy)carda-14,20(22)-dienolide

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 2 raw suppliers

Chemical Property of 3-(Acetyloxy)carda-14,20(22)-dienolide

Chemical Property:

Vapor Pressure:8.78E-12mmHg at 25°C
Boiling Point:541.3°Cat760mmHg
Flash Point:270.9°C
Density:1.16g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:398.24570956
Heavy Atom Count:29
Complexity:795

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CCC4C5=CC(=O)OC5)C)C

Technology Process of 3-(Acetyloxy)carda-14,20(22)-dienolide

There total 17 articles about 3-(Acetyloxy)carda-14,20(22)-dienolide 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: 92.0%

: 808-19-5
digitoxigenin 3-acetate

: 4240-51-1
3β-acetoxy-5β-carda-14,20(22)-dienolide

Guidance literature:: With tetrachloromethane; triphenylphosphine; In acetonitrile; at 50 ℃; for 24h;

Reference yield: 17.0%

: 808-19-5
digitoxigenin 3-acetate

3-O-Acetyl-14-deoxy-14-fluorodigitoxigenin: 77727-21-0
3-O-Acetyl-14-deoxy-14-fluorodigitoxigenin

: 4240-51-1
3β-acetoxy-5β-carda-14,20(22)-dienolide

Guidance literature:: With potassium fluoride; sulfur tetrafluoride; In dichloromethane; at 20 ℃; for 48h;
DOI:10.1002/cber.19811140334

Reference yield:

: 143-62-4
(+)-digitoxigenin

: 4240-51-1
3β-acetoxy-5β-carda-14,20(22)-dienolide

Guidance literature:: Multi-step reaction with 5 steps

1: 71 percent / (i-C₄H₉)2AlH / tetrahydrofuran / 1.) -30 deg C to -35 deg C, 1 h, 2.) up to 0 deg C during 30 min

2: 4-(N,N-dimethylamino)pyridine / pyridine / 144 h / Ambient temperature

3: 130 mg / silicagel H / CH₂Cl₂ / 18 h

4: 67.3 percent / Jones's reagent / acetone / 0.17 h / 0 °C

5: NaBH₄ / methanol / 0.5 h / Ambient temperature

With dmap; sodium tetrahydroborate; Jones's reagent; silica gel; diisobutylaluminium hydride; In tetrahydrofuran; pyridine; methanol; dichloromethane; acetone;