Respigon

Base Information

• Chemical Name: Respigon
• CAS No.: 465-39-4
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.516
• Hs Code.: 29322090
• European Community (EC) Number: 683-110-7
• Wikidata: Q27114274
• NCI Thesaurus Code: C77829
• Mol file: 465-39-4.mol

Synonyms:bufogenin;resibufogenin

Chemical Property of Respigon

Chemical Property:

• Appearance/Colour: White to off-white solid.
• Vapor Pressure: 1.26E-14mmHg at 25°C
• Melting Point: 155oC
• Refractive Index: 1.602
• Boiling Point: 554.9 °C at 760 mmHg
• PKA: 15.14±0.70(Predicted)
• Flash Point: 190.7 °C
• PSA: 62.97000
• Density: 1.25 g/cm³
• LogP: 4.25830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 384.23005950
• Heavy Atom Count: 28
• Complexity: 786

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bufogenin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O

Technology Process of Respigon

There total 3 articles about Respigon 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:

→ Resibufogenin (465-39-4,24183-15-1,35495-98-8,36121-79-6,62859-81-8)

Guidance literature:

Verb. 2a, 1. N-Bromacetamid 2. Chromat. an bas. Al2O3;

DOI:10.1021/jo00823a016

Reference yield:

→ 3β-Hydroxy-14α,15α-epoxy-5β-bufa-20,22-dienolid (465-39-4,24183-15-1,35495-98-8,36121-79-6,62859-81-8)

Guidance literature:

Chlorhydrin IIa , Al2O3;

DOI:10.1248/cpb.21.895

Reference yield:

→ Resibufogenin (465-39-4,24183-15-1,35495-98-8,36121-79-6,62859-81-8)

Guidance literature:

3d, Erhitzen mit α-Collidin;

DOI:10.1021/jo00952a019

Downstream raw materials:

14α-artebufogenin

15-hydroxy-3-acetylbufotalin

resibufogenin 3-acetate

16α-hydroxyl resibufogenin

Refernces

• 1、 Pettit,Kamano,Bruschweiler,Brown. "Bufadienolides. 14. Synthesis of bufotalien, 15 -hydroxybufalin, and resibufogenin.". . p. 3736 - 3739. Retrieved 2007/10/07.