Digitoxigenin-3-beta-N-glycylglycyl ester

Base Information

Chemical Name:Digitoxigenin-3-beta-N-glycylglycyl ester
CAS No.:42716-86-9
Molecular Formula:C27H40N2O6
Molecular Weight:488.6163
Hs Code.:
DSSTox Substance ID:DTXSID70962646
Nikkaji Number:J75.677F
Wikidata:Q76150462

Synonyms:Digitoxigenin-3-beta-N-glycylglycyl ester;Glycine, N-(aminoacetyl)-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide;42716-86-9;C25H36NO6;DTXSID70962646;C25-H36-N-O6;Digitoxigenin 3-beta-N-glycylglycyl ester;LS-72256;3-{[N-(2-Amino-1-hydroxyethylidene)glycyl]oxy}-14-hydroxycard-20(22)-enolide

Suppliers and Price of Digitoxigenin-3-beta-N-glycylglycyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Digitoxigenin-3-beta-N-glycylglycyl ester

Chemical Property:

Vapor Pressure:1.1E-21mmHg at 25°C
Boiling Point:684.4°Cat760mmHg
Flash Point:367.7°C
Density:1.26g/cm³
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:488.28863700
Heavy Atom Count:35
Complexity:935

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)CNC(=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)CNC(=O)CN

Technology Process of Digitoxigenin-3-beta-N-glycylglycyl ester

There total 3 articles about Digitoxigenin-3-beta-N-glycylglycyl ester 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: 26.0%

: 42716-95-0
digitoxigenin-3β-N-phthaloylglycylglycyl ester

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

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

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 3 steps

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

2: 57 percent / MgO / dioxane; H₂O / 0.17 h / Ambient temperature

3: 26 percent / NH₂NH₂*H₂O / ethanol / 20 h / Heating

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

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;