Tebanicline

Base Information

Chemical Name:Tebanicline
CAS No.:198283-73-7
Molecular Formula:C9H11ClN2O
Molecular Weight:198.65
Hs Code.:
European Community (EC) Number:682-404-2
UNII:9KX8NKV538
DSSTox Substance ID:DTXSID90173555
Nikkaji Number:J911.674E
Wikipedia:Tebanicline
Wikidata:Q76279183
NCI Thesaurus Code:C77852
Pharos Ligand ID:43TJBVQUPD6Y
ChEMBL ID:CHEMBL430497
Mol file:198283-73-7.mol

Synonyms:5-(2-azetidinylmethoxy)-2-chloropyridine;ABT 594;ABT-594;tebanicline

Suppliers and Price of Tebanicline

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

Sigma-Aldrich
Tebanicline hydrochloride ≥98%(HPLC)
5MG
$ 99.00

Sigma-Aldrich
Tebanicline hydrochloride ≥98%(HPLC)
25MG
$ 399.00

DC Chemicals
Tebanicline(ABT-594) >98%
100 mg
$ 450.00

Cayman Chemical
ABT-594
10mg
$ 232.00

Cayman Chemical
ABT-594
5mg
$ 131.00

Cayman Chemical
ABT-594
1mg
$ 29.00

Cayman Chemical
ABT-594
25mg
$ 508.00

American Custom Chemicals Corporation
ABT-594 95.00%
5MG
$ 501.92

Total 18 raw suppliers

Chemical Property of Tebanicline

Chemical Property:

Vapor Pressure:0.000305mmHg at 25°C
Melting Point:116-117 °C
Refractive Index:1.545
Boiling Point:321.1 °C at 760 mmHg
PKA:10.05±0.40(Predicted)
Flash Point:148 °C
PSA：34.15000
Density:1.228 g/cm³
LogP:1.80450
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.0559907
Heavy Atom Count:13
Complexity:168

Purity/Quality:

99%, ^*data from raw suppliers

Tebanicline hydrochloride ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC1COC2=CN=C(C=C2)Cl
Isomeric SMILES:C1CN[C@H]1COC2=CN=C(C=C2)Cl
Uses Analgesic (cholinergic channel modulator).

Technology Process of Tebanicline

There total 6 articles about Tebanicline 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: 56.0%

: 209328-50-7
2-chloro-5-((1-(tert-butoxycarbonyl))-2-(R)-azetidinylmethoxy)pyridine

: 198283-73-7
tebanicline

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

: 41288-96-4
6-chloropyridine-3-ol

: 198283-73-7
tebanicline

Guidance literature:: Multi-step reaction with 2 steps

1: PPh₃, DEAD / tetrahydrofuran / 4 h / Ambient temperature

2: 4.5 N HCl / dioxane / 0.5 h / Ambient temperature

With hydrogenchloride; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; 1,4-dioxane;
DOI:10.1021/jm9706224