Bufotoxin

Base Information

Chemical Name:Bufotoxin
CAS No.:464-81-3
Deprecated CAS:22369-00-2
Molecular Formula:C40H60 N4 O10
Molecular Weight:756.937
Hs Code.:
UNII:L30U3VAH5C
Metabolomics Workbench ID:198662
Nikkaji Number:J78.101K
Wikidata:Q105026536
Mol file:464-81-3.mol

Synonyms:bufotoxin

Suppliers and Price of Bufotoxin

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

American Custom Chemicals Corporation
BUFOTOXIN 95.00%
5MG
$ 495.03

Total 1 raw suppliers

Chemical Property of Bufotoxin

Chemical Property:

PSA：231.34000
LogP:6.08950
XLogP3:2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:18
Exact Mass:756.43094412
Heavy Atom Count:54
Complexity:1530

Purity/Quality:

99% ^*data from raw suppliers

BUFOTOXIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O)O
Isomeric SMILES:CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)OC(=O)CCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)O

Technology Process of Bufotoxin

There total 1 articles about Bufotoxin 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:

: 571-31-3
Epietiocholanolone

: 464-81-3
Bufotoxin

Guidance literature:: Multi-step reaction with 14 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 / 18 h / 20 °C / Inert atmosphere

12.1: pyridine; pyridine hydrogenfluoride / tetrahydrofuran / 124 h / 20 °C / Inert atmosphere

13.1: dmap / dichloromethane / 11 h / 20 °C / Inert atmosphere

14.1: 4-methyl-morpholine / tetrahydrofuran / 0.17 h / -10 °C / Molecular sieve; Inert atmosphere

14.2: 0.5 h / -10 °C / Molecular sieve; Inert atmosphere

14.3: 2 h / 20 °C / Molecular sieve; Inert atmosphere

With 4-methyl-morpholine; pyridine; 1H-imidazole; 2,6-dimethylpyridine; methanol; dmap; 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