Batrachotoxinin A, 20-(2,5-dimethylpyrrole-3-carboxylate)

Base Information

Chemical Name:Batrachotoxinin A, 20-(2,5-dimethylpyrrole-3-carboxylate)
CAS No.:23756-88-9
Molecular Formula:C₃₁H₄₂N₂O₆
Molecular Weight:538.684
Hs Code.:
DSSTox Substance ID:DTXSID40946539

Synonyms:23756-88-9;BRN 1613384;Batrachotoxinin A, 20-(2,5-dimethyl-1H-pyrrole-3-carboxylate);BATRACHOTOXININ A, 20-(2,5-DIMETHYLPYRROLE-3-CARBOXYLATE);BCT;DTXSID40946539;1-(9,12-Dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl)ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

Suppliers and Price of Batrachotoxinin A, 20-(2,5-dimethylpyrrole-3-carboxylate)

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Batrachotoxinin A, 20-(2,5-dimethylpyrrole-3-carboxylate)

Chemical Property:

Vapor Pressure:3E-23mmHg at 25°C
Boiling Point:744°C at 760 mmHg
Flash Point:403.8°C
PSA：104.25000
Density:1.34g/cm³
LogP:3.49070
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:538.30428706
Heavy Atom Count:39
Complexity:1140

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(N1)C)C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C
Isomeric SMILES:CC1=CC(=C(N1)C)C(=O)OC(C)C2=CC[C@@]34C2(C[C@H](C56C3=CC[C@H]7[C@@]5(CC[C@@](C7)(O6)O)C)O)CN(CCO4)C

Technology Process of Batrachotoxinin A, 20-(2,5-dimethylpyrrole-3-carboxylate)

There total 2 articles about Batrachotoxinin A, 20-(2,5-dimethylpyrrole-3-carboxylate) 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:

: 23509-16-2
[³H]batrachotoxin

: 23756-88-9
Batrachotoxinin A-20-(2,5-dimethyl-pyrrol-3-carboxylat)

Guidance literature:: Multi-step reaction with 2 steps

1: aq. KOH / methanol; H₂O

2: aq. NaOH, ClCO₂Et / CHCl₃

With potassium hydroxide; sodium hydroxide; chloroformic acid ethyl ester; In methanol; chloroform; water;
DOI:10.1021/ja01042a042