1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine

Base Information

• Chemical Name: 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine
• CAS No.: 107866-54-6
• Molecular Formula: C7H6 N4 O
• Molecular Weight: 162.151
• Hs Code.: 2933990090
• European Community (EC) Number: 624-046-1
• DSSTox Substance ID: DTXSID60351540
• Nikkaji Number: J382.933B
• Wikidata: Q82128031
• Mol file: 107866-54-6.mol

Synonyms:1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine;107866-54-6;1-(1H-[1,2,3]Triazolo[4,5-b]pyridin-1-yl)ethanone;1-(triazolo[4,5-b]pyridin-1-yl)ethanone;1-{1H-[1,2,3]triazolo[4,5-b]pyridin-1-yl}ethan-1-one;SCHEMBL2123309;DTXSID60351540;SDYATKOQVBKTLQ-UHFFFAOYSA-N;MFCD00075383;AKOS015891992;AS-68093;A1219;CS-0204593;FT-0642640;T70060;J-002024;1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine, 97%

Chemical Property of 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine

Chemical Property:

• Vapor Pressure: 0.000253mmHg at 25°C
• Melting Point: 116-118 °C(lit.)
• Refractive Index: 1.725
• Boiling Point: 324°C at 760 mmHg
• PKA: 0.17±0.30(Predicted)
• Flash Point: 149.7°C
• PSA: 60.67000
• Density: 1.48g/cm³
• LogP: 0.48640
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2=C(N=CC=C2)N=N1
• Uses: Reactant for:Solid-phase synthesis of carpanone-based inhibitors of exocytosis from Golgi apparatusPreparation selective cyclooxygenase-2 (COX-2) inactivatorsAcetylation of amines

Technology Process of 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine

There total 3 articles about 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine 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:

2,3-Diaminopyridine (452-58-4) → 1-acetyl-1H-1,2,3-triazolo<4,5-b>pyridine (107866-54-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / pyridine / tetrahydrofuran / 1) 0 grad C, 15min 2) room temp.,1h,45min

2: isoamylnitrite, acetic acid / tetrahydrofuran / 2 h / Heating

With pyridine; acetic acid; isopentyl nitrite; In tetrahydrofuran;

Reference yield:

N-(2-aminopyridin-3-yl)acetamide (108655-59-0) → 1-acetyl-1H-1,2,3-triazolo<4,5-b>pyridine (107866-54-6)

Guidance literature:

With acetic acid; isopentyl nitrite; In tetrahydrofuran; for 2h; Yield given; Heating;

Reference yield:

v-triazolo<4,5-b>pyridine (273-34-7) + acetic anhydride (108-24-7) → 1-acetyl-1H-1,2,3-triazolo<4,5-b>pyridine (107866-54-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 16h; Yield given; Ambient temperature;

upstream raw materials:

v-triazolo<4,5-b>pyridine

acetic anhydride

N-(2-aminopyridin-3-yl)acetamide

2,3-Diaminopyridine

Downstream raw materials:

2-phenyl-2-hydroxyethyl acetate

2-hydroxy-1-phenylethyl acetate

1,2-diacetoxy-1-phenyl-ethane

4-(2-hydroxyethoxy)-2-methoxyphenyl acetate

Refernces