1403907-73-2

Basic information

• Product Name: 1,2-dihydro-4-((4-hydroxy-2-oxo-2H-chromen-3-yl)-(4-chlorophenyl)methyl)-5-methyl-2 phenylpyrazol-3-one
• Synonyms: 1,2-dihydro-4-((4-hydroxy-2-oxo-2H-chromen-3-yl)-(4-chlorophenyl)methyl)-5-methyl-2 phenylpyrazol-3-one
• CAS NO: 1403907-73-2
• Molecular Weight: 458.901
• Mol File: 1403907-73-2.mol

Chemical Properties

• CAS DataBase Reference: 1,2-dihydro-4-((4-hydroxy-2-oxo-2H-chromen-3-yl)-(4-chlorophenyl)methyl)-5-methyl-2 phenylpyrazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-dihydro-4-((4-hydroxy-2-oxo-2H-chromen-3-yl)-(4-chlorophenyl)methyl)-5-methyl-2 phenylpyrazol-3-one(1403907-73-2)
• EPA Substance Registry System: 1,2-dihydro-4-((4-hydroxy-2-oxo-2H-chromen-3-yl)-(4-chlorophenyl)methyl)-5-methyl-2 phenylpyrazol-3-one(1403907-73-2)

Safety Data

• Hazardous Substances Data: 1403907-73-2(Hazardous Substances Data)

Upstream product

• 1076-38-6 4-hydroxy[1]benzopyran-2-one 
• 141-97-9 ethyl acetoacetate 
• 104-88-1 4-chlorobenzaldehyde 
• 100-63-0 phenylhydrazine 
• 22105-09-5 4‐hydroxycoumarin 

Relevant articles and documents

Metal-free heterogeneous and mesoporous biogenic graphene-oxide nanoparticle-catalyzed synthesis of bioactive benzylpyrazolyl coumarin derivatives

We report the preparation of graphene oxide nanoparticles (GONPs), a metal-free, heterogeneous, non-toxic, reusable and mesoporous green-(acid)-catalyst obtained by sugar carbonization through a micro-wave chemical synthesis method for the synthesis of bi

Efficient atom-economic one-pot multicomponent synthesis of benzylpyrazolyl coumarins and novel pyrano[2,3-c]pyrazoles catalysed by 2-aminoethanesulfonic acid (taurine) as a bio-organic catalyst

The present work describes eco-friendly multicomponent protocol for the synthesis in excellent yields of structurally diverse benzylpyrazolyl coumarin 5 (a–s) involving the reaction of 4-hydroxycoumarin, ethyl acetoacetate, hydrazine hydrate/phenyl hydraz

A facile solvent-free route for one-pot multicomponent synthesis of benzylpyrazolyl coumarins derivatives in presence of effective synergetic catalytic system

A combinatorial library of benzylpyrazolyl coumarin derivatives have been synthesized by a green one-pot four-component reaction between aryl hydrazine/hydrazine hydrate (1), ethyl acetoacetate (2), aromatic aldehydes (3) and 4-hydroxycoumarin (4) catalyz

One-pot multicomponent synthesis of highly functionalized bio-active pyrano[2,3-c]pyrazole and benzylpyrazolyl coumarin derivatives using ZrO2 nanoparticles as a reusable catalyst

A facile one-pot multicomponent protocol for the synthesis of bio-active pyrano[2,3-c]pyrazole and benzylpyrazolyl coumarin derivatives has been demonstrated using ZrO2 nanoparticles as a catalyst at room temperature. The reactions are very fas

In silico binding affinity to cyclooxygenase-II and green synthesis of benzylpyrazolyl coumarin derivatives

Here, we have reported for the first time, in silico binding affinity prediction of benzylpyrazolyl coumarin scaffolds to cyclooxygenase-II (COX-II) enzyme and a green synthetic route to access these scaffolds using a neutral ionic liquid, [pmIm]Br as the

Ca(II)-catalyzed, one-pot four component synthesis of functionally embellished benzylpyrazolyl coumarins in water

A facile one-pot, four-component synthesis of biologically important benzylpyrazolyl coumarins in water has been demonstrated using environmentally benign Ca(II) as the catalyst. Participation of aliphatic aldehydes has been described for the first time. Short reaction times, high yields and chromatography free isolation of the products, usage of eco-friendly catalyst and solvent are the key features of this method.

Design and synthesis of benzylpyrazolyl coumarin derivatives via a four-component reaction in water: Investigation of the weak interactions accumulating in the crystal structure of a signified compound

A combinatorial library of benzylpyrazolyl coumarin derivatives have been synthesized by a green one-pot four-component reaction between aryl hydrazine/hydrazine hydrate (1), ethyl acetoacetate (2), aromatic aldehydes (3) and 4-hydroxycoumarin (4). Molecular scaffolds which assimilate bio-active 3-benzylsubstituted 4-hydroxycoumarins as well as a pyrazolone ring in a single nucleus may be worthwhile molecules from a biological point of view. The reactions were performed in water and employed glacial acetic acid as the right choice of catalyst, and was demonstrated to be the key for rendering the reaction possible and obtained good to excellent yields under reflux conditions within a short period of time. The crystal structures of (R/S)-benzylpyrazolyl coumarin, easily produced by a chromatography-free highly product-selective reaction, were explored by means of single crystal X-ray diffraction analysis and the main intra- and intermolecular interactions perceivable through crystal structure analysis. The presence of a strong intramolecular hydrogen bond was confirmed. In addition, the whole crystal structure consists of other intermolecular hydrogen bonds, such as CH...O and aromatic CH...π interactions between R- and S-molecules and CH...O, NH...O and aromatic CH...π interactions among only R-molecules and S-molecules in the asymmetric unit.