Clofencet

Base Information

• Chemical Name: Clofencet
• CAS No.: 129025-54-3
• Molecular Formula: C13H11 Cl N2 O3
• Molecular Weight: 278.691
• UNII: Q4N3YI429F
• DSSTox Substance ID: DTXSID5043978
• Nikkaji Number: J1.596.536C
• Wikidata: Q2979541
• ChEMBL ID: CHEMBL1907428
• Mol file: 129025-54-3.mol

Synonyms:2-4-(chlorophenyl)-3-ethyl-2,5-dihydro-5-oxopyridazine-4-carboxylic acid;clofencet

Chemical Property of Clofencet

Chemical Property:

• Vapor Pressure: 1.22E-08mmHg at 25°C
• Melting Point: 269oC
• Boiling Point: 443.4°Cat760mmHg
• PKA: 2.83 (20°)
• Flash Point: 221.9°C
• PSA: 72.19000
• Density: 1.38g/cm³
• LogP: 2.14650
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.0458199
• Heavy Atom Count: 19
• Complexity: 451

Purity/Quality:

99%min ^*data from raw suppliers

Clofencet ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Plant Growth Regulators
• Canonical SMILES: CCC1=C(C(=O)C=NN1C2=CC=C(C=C2)Cl)C(=O)O

Technology Process of Clofencet

There total 3 articles about Clofencet 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: 70.2%

→ 1-(4-chlorophenyl)-1,4-dihydro-6-ethyl-4-oxopyridazine-5-carboxylic acid (129025-54-3)

Guidance literature:

Reference yield: 45.0%

2-((4-chlorophenyl)-3-ethyl-2,5-dihyro-5-oxo)-4-pyridazinecarboxylic acid ethyl ester → 1-(4-chlorophenyl)-1,4-dihydro-6-ethyl-4-oxopyridazine-5-carboxylic acid (129025-54-3)

Guidance literature:

2-((4-chlorophenyl)-3-ethyl-2,5-dihyro-5-oxo)-4-pyridazinecarboxylic acid ethyl ester; With sodium hydroxide; at 60 ℃; for 2h; Large scale;

With hydrogenchloride; In water; isopropyl alcohol; at 25 ℃; for 1h; Large scale;

DOI:10.1021/op034123q

Reference yield:

(4-[(4-chlorophenyl)-(1-hydrazinyl-2-ylidene)]-3-oxo)butanoic acid ethyl ester → 1-(4-chlorophenyl)-1,4-dihydro-6-ethyl-4-oxopyridazine-5-carboxylic acid (129025-54-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: calcium hydroxide; dmap / toluene / 0.67 h / 20 °C / Large scale

2.1: hydrogenchloride / water; toluene / 3 h / 80 °C / Large scale

3.1: sodium hydroxide / 2 h / 60 °C / Large scale

3.2: 1 h / 25 °C / Large scale

With hydrogenchloride; dmap; calcium hydroxide; sodium hydroxide; In water; toluene;

DOI:10.1021/op034123q

Refernces

• 1、 -. "Method of preparing pyridazinone derivatives". . . Retrieved 2008/06/13.