6-Chloro-3-phenyl[1,2,4]triazolo[4,3-B]pyridazine

Base Information

• Chemical Name: 6-Chloro-3-phenyl[1,2,4]triazolo[4,3-B]pyridazine
• CAS No.: 7190-80-9
• Molecular Formula: C11H7ClN4
• Molecular Weight: 230.656
• Hs Code.: 2933990090
• European Community (EC) Number: 853-077-5
• DSSTox Substance ID: DTXSID40358719
• Nikkaji Number: J1.233.385D
• Wikidata: Q27145238
• ChEMBL ID: CHEMBL2447904
• Mol file: 7190-80-9.mol

Synonyms:7190-80-9;6-CHLORO-3-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE;6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;6-CHLORO-3-PHENYL-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE;1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-phenyl-;CHEBI:75352;MFCD00277891;6-Chloro-3-phenyl-1,2,4-triazolo[4 3-b]pyridazine;Probes1_000132;Probes2_000330;CBDivE_014044;6-chloro-3-phenyl-[1,2,4]triazolo[4,3-a]pyridazine;SCHEMBL4784567;CHEMBL2447904;DTXSID40358719;HMS3437M07;BBL028486;STL231828;AKOS004915205;CCG-127421;AS-41848;FT-0714055;EN300-50852;3-Phenyl-5-chloro-1,2,3a,4-tetraaza-3aH-indene;Q27145238;F1967-0573;Z381425730

Chemical Property of 6-Chloro-3-phenyl[1,2,4]triazolo[4,3-B]pyridazine

Chemical Property:

• Melting Point: 201-203oC
• PSA: 43.08000
• LogP: 2.44470
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.0359239
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-3-phenyl[1,2,4]triazolo[4,3-b]pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)Cl

Technology Process of 6-Chloro-3-phenyl[1,2,4]triazolo[4,3-B]pyridazine

There total 13 articles about 6-Chloro-3-phenyl[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: 96.0%

3,6-dichlorpyridazine (141-30-0) + benzoic acid hydrazide (613-94-5) → 6-Chloro-3-phenyl-s-triazolo<4,3-b>pyridazine (7190-80-9)

Guidance literature:

3,6-dichlorpyridazine; benzoic acid hydrazide; With triethylamine hydrochloride; In para-xylene; for 24h; Heating / reflux;

With potassium carbonate; In water;

Reference yield: 85.0%

→ 6-Chloro-3-phenyl-s-triazolo<4,3-b>pyridazine (7190-80-9)

Guidance literature:

In acetonitrile; at 25 ℃; for 1h;

With tetrabutylammonium tetrafluoroborate; In water; acetonitrile; for 4h; Electrochemical reaction;

Reference yield: 82.0%

3-[2-(benzylidene)hydrazinyl]-6-chloropyridazine (7190-93-4) → 6-Chloro-3-phenyl-s-triazolo<4,3-b>pyridazine (7190-80-9)

Guidance literature:

With chloroamine-T; In 2-methyltetrahydrofuran; at 60 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/anie.201001999

upstream raw materials:

methyl cyanoformate

6-chloro-3-phenyl-7-trimethylsilanyl-[1,2,4]triazolo[4,3-b]pyridazine

acetaldehyde

3-Chloro-6-hydrazinopyridazine

Downstream raw materials:

1,8-Diphenyl-bis-s-triazolo<4,3-b;3',4'-f>pyridazine

6-hydrazino-3-phenyl-1,2,4-triazolo[4,3-b]pyridazine

3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine-6-ylchloride

C₁₁H₆ClIN₄

Refernces

• 1、 Ye, Zenghui,Ding, Mingruo,Wu, Yanqi,Li, Yong,Hua, Wenkai,Zhang, Fengzhi. "Electrochemical synthesis of 1,2,4-triazole-fused heterocycles". supporting information. p. 1732 - 1737. Retrieved 2018/04/30.
• 2、 Li, Ertong,Hu, Zhiyuan,Song, Lina,Yu, Wenquan,Chang, Junbiao. "Synthesis of 1,2,4-Triazolo[4,3-a]pyridines and Related Heterocycles by Sequential Condensation and Iodine-Mediated Oxidative Cyclization". . p. 11022 - 11027. Retrieved 2016/07/27.