3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine

Base Information

• Chemical Name: 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine
• CAS No.: 29334-67-6
• Molecular Formula: C9H9ClN4
• Molecular Weight: 208.65
• Hs Code.: 2933990090
• NSC Number: 270405
• DSSTox Substance ID: DTXSID70313457
• Nikkaji Number: J1.023.368B
• Wikidata: Q82064524
• ChEMBL ID: CHEMBL2288246
• Mol file: 29334-67-6.mol

Synonyms:3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine;29334-67-6;3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine;NSC270405;CBDivE_013439;IFLab1_000746;SCHEMBL1775854;CHEMBL2288246;DTXSID70313457;HMS1414B20;HMS3437A16;BBL011774;MFCD00112281;STK862422;AKOS000320147;NSC 270405;NSC-270405;SDCCGMLS-0065855.P001;VS-03029;FT-0715647;EN300-24767;3-chloro-6-(3,5-dimethyl-1-pyrazolyl)pyridazine;A819877;SR-01000202453;3-chloranyl-6-(3,5-dimethylpyrazol-1-yl)pyridazine;3-chloro-6-(3,5-dimethyl-1-pyrazolyl)-pyridazine;3-chloro-6-(3,5-dimethylpyrazol-1-yl)-pyridazine;J-512292;SR-01000202453-1;3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin;Z56799378;3-Chloro-6-(3,5-dimethyl-1H-pyrazole-1-yl)pyridazine;F0307-0190;3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine, AldrichCPR

Chemical Property of 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Melting Point: 112-114 °C
• Refractive Index: 1.657
• Boiling Point: 380.2 °C at 760 mmHg
• PKA: -0.74±0.10(Predicted)
• Flash Point: 183.7 °C
• PSA: 43.60000
• Density: 1.36 g/cm³
• LogP: 1.93250
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 208.0515740
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C2=NN=C(C=C2)Cl)C

Technology Process of 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine

There total 3 articles about 3-chloro-6-(3,5-dimethyl-1H-pyrazol-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: 88.0%

3,5-dimethyl-1H-pyrazole (67-51-6) + 3,6-dichlorpyridazine (141-30-0) → 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine (29334-67-6)

Guidance literature:

With sodium hydride; In hexane; at 20 ℃; for 1h; Solvent;

DOI:10.14233/ajchem.2013.14590

Reference yield: 88.0%

3-Chloro-6-hydrazinopyridazine (17284-97-8) + acetylacetone (123-54-6,81235-32-7) → 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine (29334-67-6)

Guidance literature:

With acetic acid; at 80 - 90 ℃; for 0.5h; Reagent/catalyst; Solvent; Reflux;

DOI:10.14233/ajchem.2013.14590

Reference yield:

→ 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridazine (29334-67-6)

Guidance literature:

upstream raw materials:

3,5-dimethyl-1H-pyrazole

3,6-dichlorpyridazine

3-Chloro-6-hydrazinopyridazine

acetylacetone

Downstream raw materials:

{Rh(carbon monoxide)(triphenylphosphine)(3-(3,5-dimethylpyrazol-1-yl)-6-chloro-pyridazine)}ClO₄

(η5-cyclopentadienyl)Ru(3-chloro-6-(3,5-dimethylpyrazolyl)pyridazine)(PPh3)PF6

3-(3,5-dimethyl-pyrazol-1-yl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridazine

{Ir(carbon monoxide)(3-(3,5-dimethylpyrazol-1-yl)-6-chloro-pyridazine)(triphenylphosphine)2}ClO₄