56426-35-8

Basic information

• Product Name: 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
• Synonyms: TIMTEC-BB SBB009683;ART-CHEM-BB B024669;AKOS B024669;5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER;Methyl 5-phenyl-1H-pyrazole-3-carboxylate;3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole;1H-Pyrazole-3-carboxylic acid, 5-phenyl-, Methyl ester;3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole, [3-(Methoxycarbonyl)-1H-pyrazol-5-yl]benzene
• CAS NO: 56426-35-8
• Molecular Formula: C₁₁H₁₀N₂O₂
• Molecular Weight: 202.21
• Mol File: 56426-35-8.mol
• Article Data: 20

Chemical Properties

• Melting Point: 180～182℃
• Boiling Point: 422°C at 760 mmHg
• Flash Point: 209°C
• Appearance: /
• Density: 1.231g/cm³
• Vapor Pressure: 2.49E-07mmHg at 25°C
• Refractive Index: 1.586
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER(56426-35-8)
• EPA Substance Registry System: 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER(56426-35-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 56426-35-8(Hazardous Substances Data)

Usage

General Description

5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER is a chemical compound with a molecular formula of C11H10N2O2. It is a methyl ester derivative of 5-phenyl-1H-pyrazole-3-carboxylic acid, and it is commonly used in pharmaceutical and scientific research. 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER has a pyrazole ring with a phenyl group attached to it, and the methyl ester functionality adds to its versatility in organic synthesis. 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER has applications in the development of new drugs and can be used as a building block in the synthesis of various biologically active molecules. Additionally, it may have potential uses in the field of agrochemicals and crop protection.

InChI:InChI=1/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)

Upstream product

• 124-41-4 sodium methylate 
• 94274-67-6 tert-Butylammonium- 
• 119987-21-2 methyl α-styryl-α-diazoacetate 
• 119987-21-2 (E)-methyl 2-diazo-4-phenylbut-3-enoate 
• 91083-82-8 (E)-methyl 4-phenylbut-3-enoate 
• 94111-13-4 5-Phenyl-2-trimethylsilanyl-2H-pyrazole-3-carboxylic acid methyl ester 
• 24379-49-5 (trimethylsilyl)phenyldiazomethane 
• 922-67-8 propynoic acid methyl ester 
• 20577-73-5 methyl 4-phenyl-2,4-dioxobutanoate 
• 98-86-2 acetophenone 
• 98-80-6 phenylboronic acid 
• 62072-06-4 (Z)-methyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate 
• 94136-16-0 C-phenyl-N-trimethylsilyl nitrile imine 
• 76862-19-6 (E)-2-[1-Dimethylamino-meth-(Z)-ylidene]-4-phenyl-but-3-enoic acid methyl ester 

Downstream Products

• 179057-19-3 (5-phenyl-1H-pyrazol-3-yl)methanol 
• 1134-49-2 3-phenyl-1H-pyrazole-5-carboxylic acid 
• 1221885-51-3 2-(3-ethoxycarbonylpropyl)-5-phenyl-2H-pyrazole-3-carboxylic acid methyl ester 
• 94033-64-4 3‐phenyl‐1H‐pyrazole‐5‐carbohydrazide 

Relevant articles and documents

N-vinylation and N-allylation of 3,5-disubstituted pyrazoles by N-H insertion of vinylcarbenoids

A vinylcarbenoid approach toward N-functionalization of NH-pyrazoles is presented. The rhodium(II)- catalyzed reaction of methyl styryl-diazoacetate (1) or dimethyl 2-diazoglutaconate (3) with 3,5-disubstituted pyrazoles gave products of carbenoid N-H insertion in high combined yields, although regioselectivity issues posed by the pyrazole or the vinylcarbenoid moiety as well as positional and configurational isomerism concerning the C,C double bond of the latter led to product mixtures. The ambident reactivity of the vinylcarbenoid derived from 1 could be steered by the catalyst: While Rh2(OAc)4 yielded products of direct carbenoid insertion preferentially, silver(I) catalysis strongly favored reaction at the vinylogous site of the carbenoid resulting in an N-allylation of the pyrazoles.

Intramolecular Cyclization of Vinyldiazoacetates as a Versatile Route to Substituted Pyrazoles

Vinyldiazo compounds undergo a thermal electrocyclization to form pyrazoles in yields of up to 95percent. The reactions are operationally simple, use readily available starting materials, require no intervention of a catalyst, and enable the synthesis of mono-, di- A nd tri-substituted pyrazoles. With the ability to produce highly substituted pyrazoles and the flexibility in installing various types of substituents, this method constitutes a new entry to this valuable heterocyclic scaffold and may be of interest to all branches of the chemical industry.

FUSED TRICYCLIC PYRAZOLO-DIHYDROPYRAZINYL-PYRIDONE COMPOUNDS AS ANTIVIRALS

The invention provides compounds of Formula (I) as described herein, along with pharmaceutically acceptable salts, pharmaceutical compositions and pharmaceutical combinations containing such compounds, as well as methods to use these compounds, salts and compositions for treating viral infections, particularly infections caused by hepatitis B virus (HBV), and for reducing the occurrence of serious conditions associated with HBV.