3-chloro-6-(1H-imidazol-1-yl)pyridazine

Base Information

• Chemical Name: 3-chloro-6-(1H-imidazol-1-yl)pyridazine
• CAS No.: 71037-71-3
• Molecular Formula: C7H5ClN4
• Molecular Weight: 180.6
• Hs Code.: 2933990090
• European Community (EC) Number: 640-462-6
• DSSTox Substance ID: DTXSID40377889
• Wikidata: Q82167265
• Mol file: 71037-71-3.mol

Synonyms:3-chloro-6-(1H-imidazol-1-yl)pyridazine;71037-71-3;3-Chloro-6-imidazol-1-yl-pyridazine;3-chloro-6-imidazol-1-ylpyridazine;3-chloro-6-(imidazol-1-yl)pyridazine;SCHEMBL928029;DTXSID40377889;MFCD02323226;STK868493;3-chloro-6-(1-imidazolyl)pyridazine;6-(1-imidazolyl)-3-chloropyridazine;AKOS000268313;AB11843;SDCCGMLS-0065605.P001;3-chloranyl-6-imidazol-1-yl-pyridazine;3-chloro-6-(1H--imidazol-1-yl)pyridazine;Pyridazine, 3-chloro-6-(imidazol-1-yl)-;BB 0262453;CS-0205893;FT-0748404;EN300-57234;W16400;A837056;AF-399/25053005;J-512291;3-Chloro-6-(1H-imidazol-1-yl)pyridazine, AldrichCPR;F1371-0167;Z108583586

Chemical Property of 3-chloro-6-(1H-imidazol-1-yl)pyridazine

Chemical Property:

• Vapor Pressure: 9.26E-07mmHg at 25°C
• Refractive Index: 1.702
• Boiling Point: 416.4 °C at 760 mmHg
• Flash Point: 205.6 °C
• PSA: 43.60000
• Density: 1.47g/cm³
• LogP: 1.31570
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.0202739
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-6-(1H-imidazol-1-yl)pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NN=C1N2C=CN=C2)Cl

Technology Process of 3-chloro-6-(1H-imidazol-1-yl)pyridazine

There total 3 articles about 3-chloro-6-(1H-imidazol-1-yl)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%

1H-imidazole (288-32-4) + 3,6-dichlorpyridazine (141-30-0) → 3-chloro-6-(1H-imidazol-1-yl)pyridazine (71037-71-3)

Guidance literature:

With sodium hydride; In toluene; for 1h; Reflux;

DOI:10.14233/ajchem.2013.14590

Reference yield:

1H-imidazole (288-32-4) + 3,6-dichlorpyridazine (141-30-0) → 3-chloro-6-(1H-imidazol-1-yl)pyridazine (71037-71-3) + 3,6-bis(1H-imidazol-1-yl)pyridazine (177648-99-6)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, paraffin oil, RT, 1h, 2.) DMF, paraffin oil, RT, 12 h;

DOI:10.1021/jm00133a013

Reference yield:

3,6-dichlorpyridazine (141-30-0) + phenylacetaldehyde (122-78-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-chloro-6-(1H-imidazol-1-yl)pyridazine (71037-71-3)

Guidance literature:

upstream raw materials:

1H-imidazole

3,6-dichlorpyridazine

phenylacetaldehyde

N,N-dimethyl-formamide

Downstream raw materials:

3-(3,5-dimethylphenoxy)-6-(1 H-imidazol-1-yl)pyridazine

3-(1H-imidazol-1-yl)-6-(3-methylphenyl)pyridazine

1-(6-Imidazol-1-yl-pyridazin-3-yloxy)-3-[2-(2-methoxy-phenoxy)-ethylamino]-propan-2-ol

1-(6-Imidazol-1-yl-pyridazin-3-yloxy)-3-(2-phenoxy-ethylamino)-propan-2-ol

Refernces

• 1、 Ather, Abdul Qayuum,Chaudhry, Faryal,Khan, Muhammad Naeem,Bueno, Eliana Aparecida Silicz,Khan, Misbahul Ain,Aslam, Noreen,Khan, Khalid M.,Athar, Muhammad Makshoof,Munawar, Munawar Ali,Ashraf, Muhammad,Ejaz, Syeda Abida. "Synthesis, antibacterial and antioxidant properties of pyrazolylpyridazines". . p. 7743 - 7748. Retrieved 2013/09/23.
• 2、 -. "Substituted diazabicycloalkane derivatives". Page/Page column 44. . Retrieved 2010/02/11.