Verruculotoxin

Base Information

Chemical Name:Verruculotoxin
CAS No.:56092-63-8
Molecular Formula:C15H20 N2 O
Molecular Weight:244.33
Hs Code.:
DSSTox Substance ID:DTXSID70204639
Nikkaji Number:J11.116C
Wikidata:Q27108540
Mol file:56092-63-8.mol

Synonyms:1-oxo-3-benzyloctahydro-2H-pyrido(1,2-a)pyrazine;verruculotoxin

Suppliers and Price of Verruculotoxin

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
VERRUCULOTOXIN 95.00%
5MG
$ 496.41

Total 0 raw suppliers

Chemical Property of Verruculotoxin

Chemical Property:

Vapor Pressure:8.13E-08mmHg at 25°C
Boiling Point:436.4°Cat760mmHg
Flash Point:217.7°C
PSA：35.83000
Density:1.14g/cm³
LogP:1.79580
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:244.157563266
Heavy Atom Count:18
Complexity:299

Purity/Quality:: VERRUCULOTOXIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN2CC(NC(=O)C2C1)CC3=CC=CC=C3
Isomeric SMILES:C1CCN2C[C@@H](NC(=O)[C@@H]2C1)CC3=CC=CC=C3

Technology Process of Verruculotoxin

There total 11 articles about Verruculotoxin 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: 76.0%

: 134746-10-4
(3S,9aS)-3-Benzyl-2-(toluene-4-sulfonyl)-hexahydro-pyrido[1,2-a]pyrazin-1-one

: 56092-63-8
verruculotoxin

Guidance literature:: With naphthalene radical anion sodium salt; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 6h;
DOI:10.1016/0040-4039(91)80345-7

Reference yield: 25.0%

: 122571-27-1
(3S,6S)-3-Benzyl-1,4-diaza-5-methoxybicyclo<4.4.0>dec-4-ene

: 56092-63-8
verruculotoxin

Guidance literature:: With toluene-4-sulfonic acid; In dichloromethane; water; at 25 ℃; for 95h;
DOI:10.1055/s-1988-27767

Reference yield:

: 7524-50-7
methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

: 56092-63-8
verruculotoxin

Guidance literature:: Multi-step reaction with 5 steps

1: 93 percent / DCC, Et₃N / CH₂Cl₂ / 1.) 0 deg C, 2 h, 2.) 25 deg C, 23 h

2: 1.) H₂, 2.) Et₃N / 1.) 10percent Pd/C / 1.) CH₃OH, 1 atm, 25 deg C, 3 h, 2.) 25 deg C, 16 h

3: 84 percent / CH₂Cl₂ / 50 h / 25 °C

4: 63 percent / BH₃*THF / tetrahydrofuran / 2 h / Heating

5: 25 percent / TsOH / CH₂Cl₂; H₂O / 95 h / 25 °C

With borane-THF; hydrogen; toluene-4-sulfonic acid; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; water;
DOI:10.1055/s-1988-27767