1-Benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate

Base Information

Chemical Name:1-Benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate
CAS No.:42238-98-2
Molecular Formula:C13H12N3O+
Molecular Weight:226.2533
Hs Code.:
DSSTox Substance ID:DTXSID60404964
NSC Number:296342
Wikidata:Q82209327

Synonyms:42238-98-2;1-benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate;DTXSID60404964;NSC296342;NSC-296342

Suppliers and Price of 1-Benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate

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

Total 5 raw suppliers

Chemical Property of 1-Benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:225.090211983
Heavy Atom Count:17
Complexity:255

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C3=CC=CC=[N+]3C(=N2)[O-]

Technology Process of 1-Benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate

There total 4 articles about 1-Benzyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate 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: 60.0%

: 100-39-0
benzyl bromide

: 6969-71-7
[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

: 42238-98-2
1-benzyl-[1,2,4]triazolo[4,3-a]pyridinium-3-olate

: 4231-61-2
2-benzyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Guidance literature:: With potassium carbonate; In 1,4-dioxane; at 80 ℃; for 10h;
DOI:10.3987/com-99-8760

Reference yield:

: 4930-98-7
pyrid-2-ylhydrazine

: 42238-98-2
1-benzyl-[1,2,4]triazolo[4,3-a]pyridinium-3-olate

Guidance literature:: Multi-step reaction with 2 steps

1: 57 percent / 2 h / 200 °C

2: 60 percent / K₂CO₃ / dioxane / 10 h / 80 °C

With potassium carbonate; In 1,4-dioxane; 1: Cyclization / 2: Alkylation;
DOI:10.3987/com-99-8760

Reference yield:

: 109-04-6
2-bromo-pyridine

: 42238-98-2
1-benzyl-[1,2,4]triazolo[4,3-a]pyridinium-3-olate

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / NH₂NH₂ / 2 h / 100 °C

2: 57 percent / 2 h / 200 °C

3: 60 percent / K₂CO₃ / dioxane / 10 h / 80 °C

With potassium carbonate; hydrazine; In 1,4-dioxane; 1: Substitution / 2: Cyclization / 3: Alkylation;
DOI:10.3987/com-99-8760