1,2,4-TRIAZOLO[4,3-A]QUINOLINE

Base Information

• Chemical Name: 1,2,4-TRIAZOLO[4,3-A]QUINOLINE
• CAS No.: 235-06-3
• Molecular Formula: C10H7 N3
• Molecular Weight: 169.186
• Hs Code.: 29349990
• European Community (EC) Number: 205-943-3
• DSSTox Substance ID: DTXSID30178064
• Nikkaji Number: J149.869J
• Wikidata: Q83048398
• Mol file: 235-06-3.mol

Synonyms:s-Triazolo[4,3-a]quinoline(6CI,8CI); 2,3,9b-Triazabenz[e]indene; 2,3,9b-Triazabenz[g]indene

Chemical Property of 1,2,4-TRIAZOLO[4,3-A]QUINOLINE

Chemical Property:

• Melting Point: 175-177 °C
• Refractive Index: 1.6550 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 30.19000
• Density: 1.31g/cm³
• LogP: 1.88250
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 169.063997236
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

1,2,4-TRIAZOLO[4,3-A]QUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=NN=CN32

Technology Process of 1,2,4-TRIAZOLO[4,3-A]QUINOLINE

There total 7 articles about 1,2,4-TRIAZOLO[4,3-A]QUINOLINE 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: 97.0%

2-hydrazinoquinoline (15793-77-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1,2,4-triazolo[4,3-a]-quinoline (235-06-3)

Guidance literature:

With Imidazole hydrochloride; at 153 ℃;

DOI:10.1016/j.tetlet.2020.151844

Reference yield: 78.0%

2-hydrazinoquinoline (15793-77-8) + nitromethane (75-52-5) → 1,2,4-triazolo[4,3-a]-quinoline (235-06-3)

Guidance literature:

nitromethane; With polyphosphoric acid; at 130 ℃;

2-hydrazinoquinoline; at 130 ℃;

DOI:10.1039/d0ob01007c

Reference yield:

2-Chloroquinoline (612-62-4) → 1,2,4-triazolo[4,3-a]-quinoline (235-06-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / 140 °C

2: formic acid

With formic acid; hydrazine hydrate;

upstream raw materials:

2-hydrazinoquinoline

formic acid

orthoformic acid triethyl ester

2-Chloroquinoline

Downstream raw materials:

2-aminoquinoline

Refernces

• 1、 Aksenov, Alexander V.,Aksenov, Dmitrii A.,Aksenov, Nicolai A.,Arutiunov, Nikolai A.,Du, Liqin,Kirilov, Nikita K.,Kornienko, Alexander,Maslivetc, Vladimir,Rubin, Michael,Zhao, Zhenze. "Nitroalkanes as electrophiles: Synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity". . p. 6651 - 6664. Retrieved 2020/09/21.