Digitoxigenin 3-acetylaminoacetate

Base Information

Chemical Name:Digitoxigenin 3-acetylaminoacetate
CAS No.:42716-84-7
Molecular Formula:C27H39NO6
Molecular Weight:473.6017
Hs Code.:
DSSTox Substance ID:DTXSID10962645

Synonyms:Digitoxigenin 3-acetylaminoacetate;Digitoxigenin-3-beta-N-acetylglycyl ester;3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with N-acetylglycine;5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(ACETAMIDOACETATE) (ester);42716-84-7;DTXSID10962645;LS-52421;14-Hydroxy-3-{[N-(1-hydroxyethylidene)glycyl]oxy}card-20(22)-enolide

Suppliers and Price of Digitoxigenin 3-acetylaminoacetate

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 1 raw suppliers

Chemical Property of Digitoxigenin 3-acetylaminoacetate

Chemical Property:

Vapor Pressure:3.49E-20mmHg at 25°C
Boiling Point:659.3°Cat760mmHg
Flash Point:352.5°C
Density:1.24g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:473.27773796
Heavy Atom Count:34
Complexity:915

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C
Isomeric SMILES:CC(=O)NCC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C

Technology Process of Digitoxigenin 3-acetylaminoacetate

There total 2 articles about Digitoxigenin 3-acetylaminoacetate 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:

: 75-36-5
acetyl chloride

: 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

: 42716-84-7
digitoxigenin-3β-N-acetylglycyl ester

Guidance literature:: With magnesium oxide; In 1,4-dioxane; water; at 20 ℃; for 0.5h;

Reference yield:

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

: 42716-84-7
digitoxigenin-3β-N-acetylglycyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / NH₂NH₂*H₂O / ethanol / 20 h / Heating

2: 0.650 g / MgO / dioxane; H₂O / 0.5 h / 20 °C

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