4,7-dichloro-1H-imidazo[4,5-d]pyridazine

Base Information

• Chemical Name: 4,7-dichloro-1H-imidazo[4,5-d]pyridazine
• CAS No.: 17998-43-5
• Molecular Formula: C5H2Cl2N4
• Molecular Weight: 189.004
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00415433
• Wikidata: Q82224362
• Mol file: 17998-43-5.mol

Synonyms:4,7-dichloro-1H-imidazo[4,5-d]pyridazine;17998-43-5;MFCD00723713;1H-Imidazo[4,5-d]pyridazine, 4,7-dichloro-;SCHEMBL2906446;DTXSID00415433;KDFRQLMTRRFLKG-UHFFFAOYSA-N;STK784306;AKOS005266562;AS-40420;BP-22008;SY259501;CS-0316397;A854114

Chemical Property of 4,7-dichloro-1H-imidazo[4,5-d]pyridazine

Chemical Property:

• Vapor Pressure: 5.55E-14mmHg at 25°C
• Boiling Point: 605.9oC at 760 mmHg
• Flash Point: 347.1oC
• PSA: 54.46000
• Density: 1.792g/cm3
• LogP: 1.65970
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.9656515
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99%+, ^*data from raw suppliers

4,7-Dichloro-1H-imidazo[4,5-d]pyridazine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NN=C2Cl)Cl

Technology Process of 4,7-dichloro-1H-imidazo[4,5-d]pyridazine

There total 5 articles about 4,7-dichloro-1H-imidazo[4,5-d]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: 67.0%

5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione (6293-09-0) → 4,7-dichloro-1H-imidazo[4,5-d]pyridazine (17998-43-5)

Guidance literature:

With methylamine; trichlorophosphate; for 16h; Reflux; Inert atmosphere;

DOI:10.1021/jm900309j

Reference yield:

dimethyl imidazole-4,5-dicarboxylate (3304-70-9) → 4,7-dichloro-1H-imidazo[4,5-d]pyridazine (17998-43-5)

Guidance literature:

Multi-step reaction with 3 steps

1: N₂H₄

2: N₂H₄+H₂O

3: N,N-dimethyl-aniline; POCl₃

With hydrazine hydrate; N,N-dimethyl-aniline; hydrazine; trichlorophosphate;

DOI:10.1021/jo01104a036

Reference yield:

1H-imidazole-4,5-dicarboxylic acid dihydrazide (5423-20-1) → 4,7-dichloro-1H-imidazo[4,5-d]pyridazine (17998-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄+H₂O

2: N,N-dimethyl-aniline; POCl₃

With hydrazine hydrate; N,N-dimethyl-aniline; trichlorophosphate;

DOI:10.1021/jo01104a036

upstream raw materials:

5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione

N,N-dimethyl-aniline

dimethyl imidazole-4,5-dicarboxylate

1H-imidazole-4,5-dicarboxylic acid dihydrazide

Downstream raw materials:

7-benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-imidazo[4,5-d]pyridazine

Refernces

• 1、 -. "SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY". Page/Page column 41. . Retrieved 2009/03/07.
• 2、 -. "COMPOUNDS FOR TREATING PULMONARY HYPERTENSION". Page/Page column 61; 62. . Retrieved 2008/06/13.