Digitoxigenin 3-(aminoacetate)

Base Information

Chemical Name:Digitoxigenin 3-(aminoacetate)
CAS No.:42716-79-0
Molecular Formula:C25H37NO5
Molecular Weight:431.565
Hs Code.:
DSSTox Substance ID:DTXSID70962641
Nikkaji Number:J72.641I
Wikidata:Q76149247
Metabolomics Workbench ID:198952

Synonyms:Digitoxigenin 3-(aminoacetate);Digitoxigenin-3-beta-L-glycyl ester;3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with glycine;5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(AMINOACETATE) (ester);42716-79-0;DTXSID70962641;LS-52423;3-(Glycyloxy)-14-hydroxycard-20(22)-enolide;3beta-(Aminoacetoxy)-14-hydroxy-5beta-card-20(22)-enolide

Suppliers and Price of Digitoxigenin 3-(aminoacetate)

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 Digitoxigenin 3-(aminoacetate)

Chemical Property:

Vapor Pressure:7E-16mmHg at 25°C
Boiling Point:580.3°Cat760mmHg
Flash Point:304.7°C
Density:1.23g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:431.26717328
Heavy Atom Count:31
Complexity:810

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)CN
Isomeric SMILES:C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CN

Technology Process of Digitoxigenin 3-(aminoacetate)

There total 1 articles about Digitoxigenin 3-(aminoacetate) 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%

: 42716-90-5
digitoxigenin-3β-phthaloylglycyl ester

: 42716-79-0
Amino-acetic acid (3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-furan-3-yl)-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

Guidance literature:: With hydrazine hydrate; In ethanol; for 20h; Heating;

Reference yield: 28.6%

: 3615-41-6,478518-52-4
L-Rhamnose

: 42716-79-0
Amino-acetic acid (3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-furan-3-yl)-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

: 81072-29-9
digitoxigenin-3β-N-(L)-ramnosylglycyl ester

Guidance literature:: With ammonium chloride; In ethanol; for 4h; Heating;

Reference yield:

: 42716-79-0
Amino-acetic acid (3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydro-furan-3-yl)-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

: 42716-86-9
digitoxigenin-3β-N-glycylglycyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 57 percent / MgO / dioxane; H₂O / 0.17 h / Ambient temperature

2: 26 percent / NH₂NH₂*H₂O / ethanol / 20 h / Heating

With magnesium oxide; hydrazine hydrate; In 1,4-dioxane; ethanol; water;