N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide

Base Information

Chemical Name:N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide
CAS No.:114967-91-8
Molecular Formula:C₂₇H₄₁NO₅S
Molecular Weight:491.692
Hs Code.:
DSSTox Substance ID:DTXSID90921573

Synonyms:BRN 3575489;(11-beta,17-alpha-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid diethylamide;Acetamide, N,N-diethyl-2-((11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)-, (11-beta)-;N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide;114967-91-8;C27H41NO5S;DTXSID90921573;LS-9118;2-[(11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl)sulfanyl]-N,N-diethylacetamide

Suppliers and Price of N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide

Chemical Property:

Vapor Pressure:4.83E-20mmHg at 25°C
Boiling Point:656.9°Cat760mmHg
Flash Point:351.1°C
Density:1.23g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:491.27054458
Heavy Atom Count:34
Complexity:884

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)C(=O)CSCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O
Isomeric SMILES:CCN(CC)C(=O)CSCC(=O)[C@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)CC[C@]34C)O)C)O

Technology Process of N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide

There total 4 articles about N,N-Diethyl-2-((11-beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)thio)acetamide 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: 93.5%

: 98791-34-5
(11β,17α-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid

: 109-89-7
diethylamine

: 114967-91-8
N,N-diethyl-(11β,17α-dihydroxy-4-pregnene-3,20-dion-21-ylthio)acetamide

Guidance literature:: With dicyclohexyl-carbodiimide; In 1,4-dioxane; for 18h;

Reference yield: 84.5%

: 125118-27-6
N-hydroxysuccinimide (11β,17α-dihydroxy-4-pregnene-3,20-dion-21-ylthio)acetate

: 109-89-7
diethylamine

: 114967-91-8
N,N-diethyl-(11β,17α-dihydroxy-4-pregnene-3,20-dion-21-ylthio)acetamide

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

Reference yield:

: 98791-34-5
(11β,17α-Dihydroxy-4-pregnene-3,20-dion-21-yl-21-thio)acetic acid

: 114967-91-8
N,N-diethyl-(11β,17α-dihydroxy-4-pregnene-3,20-dion-21-ylthio)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 99.5 percent / N,N-dicyclohexylcarbodiimide (DCC) / dioxane / 24 h

2: 84.5 percent / dioxane / Ambient temperature

With dicyclohexyl-carbodiimide; In 1,4-dioxane;