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Technology Process of Bufogenin B

Bufogenin B

Base Information
  • Chemical Name:Bufogenin B
  • CAS No.:465-19-0
  • Deprecated CAS:119222-84-3
  • Molecular Formula:C24H34 O5
  • Molecular Weight:402.531
  • Hs Code.:
  • UNII:0V5L6RJ023
  • ChEMBL ID:CHEMBL463065
  • DSSTox Substance ID:DTXSID00493913
  • Metabolomics Workbench ID:121111
  • Nikkaji Number:J5.888B
  • Wikidata:Q27237290
  • Mol file:465-19-0.mol
Bufogenin B

Synonyms:Bufogenin B;Desacetylbufotalin;465-19-0;0V5L6RJ023;5-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one;16-beta-Hydroxybufalin;UNII-0V5L6RJ023;DEACETYLBUFOTALIN;BUFOGENIN B [MI];CHEMBL463065;SCHEMBL1484105;16.BETA.-HYDROXYBUFALIN;DTXSID00493913;3-beta,14,16-beta-Trihydroxy-5-beta-bufa-20,22-dienolide;Q27237290;(3beta,5beta,16beta)-3,14,16-Trihydroxybufa-20,22-dienolide;5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-;Bufa-20,22-dienolide, 3,14,16-trihydroxy-, (3-beta,5-beta,16-beta)-;(3.BETA.,5.BETA.,16.BETA.)-3,14,16-TRIHYDROXYBUFA-20,22-DIENOLIDE;3.BETA.,14,16.BETA.-TRIHYDROXY-5.BETA.,14.BETA.-BUFA-20,22-DIENOLIDE;BUFA-20,22-DIENOLIDE, 3,14,16-TRIHYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-;119222-84-3

Suppliers and Price of Bufogenin B
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
  • Packaging
  • price
  • Biosynth Carbosynth
  • Deacetylbufotalin
  • 10 mg
  • $ 250.00
  • Biosynth Carbosynth
  • Deacetylbufotalin
  • 5 mg
  • $ 150.00
  • Biosynth Carbosynth
  • Deacetylbufotalin
  • 2 mg
  • $ 80.00
  • Biosynth Carbosynth
  • Deacetylbufotalin
  • 1 mg
  • $ 50.00
  • Biosynth Carbosynth
  • Deacetylbufotalin
  • 25 mg
  • $ 500.00
  • American Custom Chemicals Corporation
  • BUFOGENIN B 95.00%
  • 5MG
  • $ 498.43
Total 5 raw suppliers
Chemical Property of Bufogenin B
Chemical Property:
  • Melting Point:216.5°C (rough estimate) 
  • Refractive Index:1.5800 (estimate) 
  • Boiling Point:597.4°Cat760mmHg 
  • Flash Point:204.1°C 
  • PSA：90.90000 
  • Density:1.289g/cm3 
  • LogP:3.21270 
  • XLogP3:2.2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:1
  • Exact Mass:402.24062418
  • Heavy Atom Count:29
  • Complexity:773
Purity/Quality:

99% *data from raw suppliers

Deacetylbufotalin *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=COC(=O)C=C5)O)O)C)O
  • Isomeric SMILES:C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=COC(=O)C=C5)O)O)C)O
Technology Process of Bufogenin B

There total 1 articles about Bufogenin B 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:

Epietiocholanolone
571-31-3

Epietiocholanolone

16β-hydroxybufalin
465-19-0

16β-hydroxybufalin

Guidance literature:
Multi-step reaction with 11 steps
1.1: 1H-imidazole / N,N-dimethyl-formamide / 15 h / 70 °C / Inert atmosphere
2.1: triethylamine / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere
3.1: palladium diacetate / dichloromethane; acetonitrile / 25 h / 20 °C / Inert atmosphere
4.1: silica gel; N-ethyl-N,N-diisopropylamine / 4 h / 80 °C / Inert atmosphere
5.1: oxygen; phenylsilane; cobalt(II) aceylacetonate / 1,4-dioxane / 5 h / 20 °C / 760.05 Torr
6.1: triethylamine; hydrazine hydrate / ethanol / 13 h / 50 °C / Inert atmosphere
6.2: 0.67 h / 0 °C
7.1: tetrakis(triphenylphosphine) palladium(0); copper(l) chloride; lithium chloride / dimethyl sulfoxide; tetrahydrofuran / 13 h / 60 °C / Inert atmosphere
8.1: 3-chloro-benzenecarboperoxoic acid; sodium carbonate / dichloromethane / 5 h / -78 - -20 °C / Inert atmosphere
9.1: 2,6-dimethylpyridine / dichloromethane / 1 h / -78 - 20 °C / Inert atmosphere
10.1: methanol; sodium tetrahydroborate / tetrahydrofuran / 1.5 h / 0 °C / Inert atmosphere
11.1: pyridine; pyridine hydrogenfluoride / tetrahydrofuran / 77 h / 20 °C / Inert atmosphere
With pyridine; 1H-imidazole; 2,6-dimethylpyridine; methanol; sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0); phenylsilane; oxygen; palladium diacetate; silica gel; sodium carbonate; pyridine hydrogenfluoride; cobalt(II) aceylacetonate; hydrazine hydrate; triethylamine; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; copper(l) chloride; lithium chloride; In tetrahydrofuran; 1,4-dioxane; ethanol; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/acs.orglett.0c03251
upstream raw materials:

Epietiocholanolone

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