N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide

Base Information

Chemical Name:N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide
CAS No.:42716-82-5
Molecular Formula:C29H45NO5
Molecular Weight:487.67
Hs Code.:
DSSTox Substance ID:DTXSID90962643
Nikkaji Number:J75.701B
Wikidata:Q76150454
Mol file:42716-82-5.mol

Synonyms:42716-82-5;N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide;Digitoxigenin-3-beta-N,N-diethylglycyl ester;Glycine, N,N-diethyl-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide;C27H40ClNO5;C27-H40-Cl-N-O5;DTXSID90962643;LS-72478;3-[(N,N-Diethylglycyl)oxy]-14-hydroxycard-20(22)-enolide;3beta-(N,N-Diethylaminoacetyloxy)-14-hydroxy-5beta-card-20(22)-enolide

Suppliers and Price of N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide

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
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Total 0 raw suppliers

Chemical Property of N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide

Chemical Property:

Vapor Pressure:2.49E-17mmHg at 25°C
Boiling Point:608.1°C at 760 mmHg
Flash Point:321.6°C
PSA：76.07000
Density:1.17g/cm³
LogP:4.49700
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:487.32977354
Heavy Atom Count:35
Complexity:882

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide

There total 3 articles about N,N-Diethylglycine 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide 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: 60.4%

: 109-89-7
diethylamine

: 42716-96-1
digitoxigenin-3β-chloroacetate

: 42716-82-5
digitoxigenin-3β-N,N-diethylglycyl ester

Guidance literature:: In 1,4-dioxane; for 20h; Ambient temperature;

Reference yield:

: 143-62-4
(+)-digitoxigenin

: 42716-82-5
digitoxigenin-3β-N,N-diethylglycyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / pyridine / 2.5 h / Ambient temperature

2: 60.4 percent / dioxane / 20 h / Ambient temperature

With pyridine; In 1,4-dioxane;