84956-71-8

Basic information

• Product Name: 2-(TERT-BUTYL)-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE
• Synonyms: 2-(TERT-BUTYL)-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE;4,5-DICHLORO-2-(1,1-DIMETHYLETHYL)-3(2H)-PYRIDAZINONE;2-tert-Butyl-4,5-dichloro-2H-pyridazin-3-one
• CAS NO: 84956-71-8
• Molecular Formula: C₈H₁₀Cl₂N₂O
• Molecular Weight: 221.08
• Mol File: 84956-71-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 59 °C
• Boiling Point: 240.5±50.0℃ (760 Torr)
• Flash Point: 99.3±30.1℃
• Appearance: /
• Density: 1.32±0.1 g/cm3 (20 ºC 760 Torr)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -3.39±0.20(Predicted)
• CAS DataBase Reference: 2-(TERT-BUTYL)-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TERT-BUTYL)-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE(84956-71-8)
• EPA Substance Registry System: 2-(TERT-BUTYL)-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE(84956-71-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 84956-71-8(Hazardous Substances Data)

Usage

General Description

2-(tert-butyl)-4,5-dichloro-2,3-dihydropyridazin-3-one is a chemical compound with the molecular formula C10H13Cl2N2O. It belongs to the class of dihydropyridazinones and is commonly used in pharmaceutical research and drug development. 2-(TERT-BUTYL)-4,5-DICHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE exhibits potential pharmacological activities and is of interest for its potential therapeutic applications. It is also used as a building block in the synthesis of various organic compounds and can act as a precursor in the preparation of new drugs. Overall, 2-(tert-butyl)-4,5-dichloro-2,3-dihydropyridazin-3-one has important applications in the field of medicinal chemistry and drug discovery.

InChI:InChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3

Upstream product

• 87-56-9 mucochloric acid 
• 7400-27-3 tertbutylhydrazine hydrochloride 
• 766-40-5 Mucochloric acid 

Downstream Products

• 96490-18-5 2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone 
• 1194054-62-0 2-tert-butyl-5-{4-[2-(2-(tert-butyldimethylsiloxy)ethoxy)ethoxy]benzyloxy}-4-chloro-2H-pyridazin-3-one 
• 96489-71-3 pyridaben 

Relevant articles and documents

Synthesis and antitumor activity of novel pyridazinone derivatives containing 1,3,4-thiadiazole moiety

A series of novel pyridazinone derivatives containing the 1,3,4-thiadiazole moiety were synthesized and characterized by 1H NMR, 13C NMR, spectroscopies HRMS and IR. Among them, the structure of compound 5c (2-(Tert-butyl)?4-chloro-5-((5-((2-ethylphenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One) was unambiguously confirmed via single crystal X-ray diffraction analysis. The inhibitory activity of all the target compounds against MGC-803 and Bcap-37 was determined by MTT assay, with doxorubicin (the inhibition rates were 95.5 ± 0.4% and 95.7 ± 1.0% respectively) as a control. The preliminary results showed that the inhibitory activity of compound 5n (2-(Tert-butyl)?4-chloro-5-((5-((3-fluorophenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One) was superior to the others. The inhibition rates of MGC-803 and Bcap-37 cells were 86.3 ± 2.2% and 92.3 ± 0.6% at a concentration of 10 μmol/L, respectively. The preliminary structure-activity relationship showed that when the 2-position of the benzene ring was substituted by a methyl group, such as compound 5j (2-(Tert-butyl)?4-chloro-5-((5-((2,3-dimethylphenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One), it exhibited good anticancer activity on MGC-803 cells. Besides, introducing fluorine, chlorine, or trifluoromethyl group onto the benzene ring, such as compound 5 m (2-(Tert-butyl)?4-chloro-5-((5-((4-(trifluoromethoxy)phenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One), displayed good anticancer activity on MGC-803 and Bcap-37 cells.

DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER

The present invention provides a diagnostic agent for a therapeutic effect on cancer, containing a compound represented by formula (1-0). (In formula (1-0), R represents —O(CH2)n—, —O(CH2)nOC2H4—, —CH2O(CH2)n—, or —CH2O(CH2)nOC2H4—, n represents an integer of 1 to 5, and Q1 represents F or —OCH3.)

METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF

The present invention generally relates to methods and system for the synthesis of imaging agents, and precursors thereof. The methods may exhibit improved yields and may allow for the large-scale synthesis of imaging agents, including imaging agents comp