Strophanthidin-3-chloroacetate

Base Information

• Chemical Name: Strophanthidin-3-chloroacetate
• CAS No.: 52552-28-0
• Molecular Formula: C25H33ClO7
• Molecular Weight: 480.9783
• DSSTox Substance ID: DTXSID70966982

Synonyms:Strophanthidin-3-chloroacetate;BRN 0067332;(3-beta,5-beta)-3-((Chloroacetyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide;52552-28-0;Card-20(22)-enolide, 3-((chloroacetyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-;C25H33ClO7;C25-H33-Cl-O7;DTXSID70966982;LS-52308;3-[(Chloroacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Chemical Property of Strophanthidin-3-chloroacetate

Chemical Property:

• Vapor Pressure: 2.61E-19mmHg at 25°C
• Boiling Point: 644.1°Cat760mmHg
• Flash Point: 343.4°C
• Density: 1.37g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 480.1914811
• Heavy Atom Count: 33
• Complexity: 903

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CCl)C=O)O
• Isomeric SMILES: C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CCl)C=O)O

Technology Process of Strophanthidin-3-chloroacetate

There total 2 articles about Strophanthidin-3-chloroacetate 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:

chloroacetyl chloride (79-04-9) + strophanthidin (66-28-4) → 3β-chloroacetoxy-5,14-dihydroxy-19-oxo-5β,14β-card-20(22)-enolide (52552-28-0)

Guidance literature:

With chloroform;

Reference yield:

Chloroacetic anhydride (541-88-8) + strophanthidin (66-28-4) → 3β-chloroacetoxy-5,14-dihydroxy-19-oxo-5β,14β-card-20(22)-enolide (52552-28-0)

Guidance literature:

With pyridine;

Reference yield:

3β-chloroacetoxy-5,14-dihydroxy-19-oxo-5β,14β-card-20(22)-enolide (52552-28-0) + ajmaline → 3β-O-(ajmalin-N(b)-ioacetyl)strophanthidin chloride (83059-99-8)

Guidance literature:

DOI:10.1007/BF00714917

upstream raw materials:

chloroacetyl chloride

strophanthidin

Chloroacetic anhydride

Downstream raw materials:

3β-O-(ajmalin-N(b)-ioacetyl)strophanthidin chloride

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