7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

Base Information

Chemical Name:7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CAS No.:252977-51-8
Molecular Formula:C₂₀H₂₂FN₇O
Molecular Weight:395.439
Hs Code.:
UNII:1FI3KTC550
DSSTox Substance ID:DTXSID10179938
Nikkaji Number:J2.456.516E
Wikipedia:TPA-023
Wikidata:Q7671096
Metabolomics Workbench ID:153265
ChEMBL ID:CHEMBL200177

Synonyms:7-(1,1-dimethylethyl)-6-(2-ethyl-2H-1,2,4-triazol-3-ylmethoxy)-3-(2-fluorophenyl)-1,2,4-triazolo(4,3-b)pyridazine;MK-0777;TPA 023;TPA-023;TPA023

Suppliers and Price of 7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

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

Crysdot
7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine 97%
1g
$ 1191.00

ChemScene
TPA023 99.71%
10mg
$ 1600.00

ChemScene
TPA023 99.71%
5mg
$ 950.00

ChemScene
TPA023 99.71%
1mg
$ 450.00

Total 4 raw suppliers

Chemical Property of 7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:395.18698651
Heavy Atom Count:29
Complexity:547

Purity/Quality:

97% ^*data from raw suppliers

7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN1C(=NC=N1)COC2=NN3C(=NN=C3C4=CC=CC=C4F)C=C2C(C)(C)C
Recent ClinicalTrials:A Study of MK0777 in the Treatment of Outpatients With Generalized Anxiety Disorder (0777-020)

Technology Process of 7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

There total 2 articles about 7-(tert-Butyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine 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: 44.0%

: 215868-81-8
(2-ethyl-2H-[1,2,4]triazol-3-yl)methanol

: 252977-54-1
6-chloro-7-(1,1-dimethyleth-1-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

: 252977-51-8
TPA023

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;
DOI:10.1021/jm058034a

Reference yield:

: 22808-29-3
3,6-dichloro-4-(1,1-dimethylethyl)pyridazine

: 252977-51-8
TPA023

Guidance literature:: Multi-step reaction with 2 steps

1: 44 percent / triethylamine hydrochloride / dioxane / 96 h / Heating

2: 44 percent / NaH / dimethylformamide / 0.5 h / 20 °C

With triethylamine hydrochloride; sodium hydride; In 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1021/jm058034a