Ammodendrine

Base Information

Chemical Name:Ammodendrine
CAS No.:494-15-5
Molecular Formula:C12H20N2O
Molecular Weight:208.3
Hs Code.:
UNII:U0X8I482C7
DSSTox Substance ID:DTXSID70964226
Nikkaji Number:J92.893C
Wikidata:Q27105761
Metabolomics Workbench ID:52963
ChEMBL ID:CHEMBL464777
Mol file:494-15-5.mol

Synonyms:ammodendrine

Suppliers and Price of Ammodendrine

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
AMMODENDRINE 95.00%
5MG
$ 498.39

Total 6 raw suppliers

Chemical Property of Ammodendrine

Chemical Property:

Vapor Pressure:7.99E-06mmHg at 25°C
Melting Point:73-74 °C
Boiling Point:375.1°Cat760mmHg
PKA:10.29±0.10(Predicted)
Flash Point:180.6°C
PSA：32.34000
Density:1.061g/cm³
LogP:1.92140
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:208.157563266
Heavy Atom Count:15
Complexity:273

Purity/Quality:

99% ^*data from raw suppliers

AMMODENDRINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1CCCC(=C1)C2CCCCN2
Isomeric SMILES:CC(=O)N1CCCC(=C1)[C@H]2CCCCN2

Technology Process of Ammodendrine

There total 3 articles about Ammodendrine 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:

: 852922-11-3
L-Ala-D-ammodendrine

: 494-15-5,27542-15-0,54966-22-2
(+)-ammodendrine

Guidance literature:: L-Ala-D-ammodendrine; With phenyl isothiocyanate; triethylamine; In methanol; at 50 ℃; for 1.5h;

With trifluoroacetic acid; In methanol; at 50 ℃; for 1.5h;
DOI:10.1021/np0580199

Reference yield:

: 20824-32-2,27542-15-0,54966-22-2
Ammodendrin

: 494-15-5,27542-15-0,54966-22-2
(+)-ammodendrine

Guidance literature:: With 6,6′-dinitro[1,1′-biphenyl]-2,2′-dicarboxylic acid;

Reference yield:

: 852922-10-2
Fmoc-L-Ala-ammodendrine

: 494-15-5,27542-15-0,54966-22-2
(+)-ammodendrine

Guidance literature:: Multi-step reaction with 2 steps

1.1: piperidine / CH₂Cl₂ / 1 h / 20 °C

2.1: aq. Et₃N; phenylisothiocyanate / methanol / 1.5 h / 50 °C

2.2: TFA / methanol / 1.5 h / 50 °C

With piperidine; phenyl isothiocyanate; triethylamine; In methanol; dichloromethane; 2.1: Edman degradation;
DOI:10.1021/np0580199