Tebanicline tosylate

Base Information

Chemical Name:Tebanicline tosylate
CAS No.:198283-74-8
Molecular Formula:C16H19ClN2O4S
Molecular Weight:370.8511
Hs Code.:
UNII:CP1A26546Z
DSSTox Substance ID:DTXSID70941658
Wikidata:Q27275600
NCI Thesaurus Code:C75076
ChEMBL ID:CHEMBL2104964

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

Suppliers and Price of Tebanicline tosylate

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Tebanicline tosylate

Chemical Property:

Vapor Pressure:0.000305mmHg at 25°C
Boiling Point:321.1°Cat760mmHg
Flash Point:148°C
Density:g/cm³
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:370.0754060
Heavy Atom Count:24
Complexity:374

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)O.C1CNC1COC2=CN=C(C=C2)Cl
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)O.C1CN[C@H]1COC2=CN=C(C=C2)Cl

Technology Process of Tebanicline tosylate

There total 4 articles about Tebanicline tosylate 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: 88.0%

: 104-15-4
toluene-4-sulfonic acid

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

: 198283-74-8
(R)-5-(2-azetidinylmethoxy)-2-chloropyridine p-toluenesulfonic acid salt

Guidance literature:: In ethanol; Heating;
DOI:10.1016/S0957-4166(98)00291-2

Reference yield:

: 5350-93-6
6-Chloro-pyridin-3-ylamine

: 198283-74-8
(R)-5-(2-azetidinylmethoxy)-2-chloropyridine p-toluenesulfonic acid salt

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) t-BuONO, BF₃*OEt₂ / 1.) CH₂Cl₂, DME, 2.) heating

2: K₂CO₃ / methanol

3: KOH / dimethylformamide / 80 °C

4: 88 percent / ethanol / Heating

With potassium hydroxide; tert.-butylnitrite; boron trifluoride diethyl etherate; potassium carbonate; In methanol; ethanol; N,N-dimethyl-formamide;
DOI:10.1016/S0957-4166(98)00291-2

Reference yield:

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

: 198283-74-8
(R)-5-(2-azetidinylmethoxy)-2-chloropyridine p-toluenesulfonic acid salt

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / dimethylformamide / 80 °C

2: 88 percent / ethanol / Heating

With potassium hydroxide; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/S0957-4166(98)00291-2