1133-77-3

Basic information

• Product Name: 1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
• Synonyms: 1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;RARECHEM AL BE 1006;(5-Carboxy-1H-pyrazol-1-yl)benzene;1-phenyl-1H-pyrazol-5-carboxylic acid;2-Phenyl-2H-pyrazole-3-carboxylic acid;1-Phenyl-1H-pyrazole-5-carboxylic ac;NSC 40268;1H-Pyrazole-5-carboxylic acid, 1-phenyl-
• CAS NO: 1133-77-3
• Molecular Formula: C₁₀H₈N₂O₂
• Molecular Weight: 188.18
• Mol File: 1133-77-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 182 °C
• Boiling Point: 379.6 °C at 760 mmHg
• Flash Point: 183.4 °C
• Appearance: /
• Density: 1.28 g/cm³
• Vapor Pressure: 1.93E-06mmHg at 25°C
• Refractive Index: 1.631
• Storage Temp.: 2-8°C
• PKA: 2.87±0.10(Predicted)
• CAS DataBase Reference: 1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(1133-77-3)
• EPA Substance Registry System: 1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(1133-77-3)

Safety Data

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 1133-77-3(Hazardous Substances Data)

Usage

General Description

1-Phenyl-1H-pyrazole-5-carboxylic acid is a chemical compound with a specific molecular formula of C10H8N2O2. It belongs to the group of pyrazoles, which are heterocyclic compounds with a five-membered ring containing two nitrogen atoms. It is also known as phenylpyrazole carboxylic acid. It holds significant value in the field of organic chemistry primarily because of its unique structural configuration and property setup. It is often used as a precursor or an intermediate in chemical synthesis. Its various derivatives also make it widely prevalent in medicinal chemistry, particularly in creating pharmaceutical drugs.

InChI:InChI=1/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)

Upstream product

• 6831-91-0 5-methyl-1-phenylpyrazole 
• 62089-29-6 4-(2-phenyl-2H-pyrazol-3-yl)-aniline 
• 115315-94-1 ethyl 1-phenyl-1H-pyrazole-5-carboxylate 
• 124-38-9 carbon dioxide 
• 1126-00-7 1-phenylpyrazole 
• 108-86-1 bromobenzene 
• 1621-91-6 1-2H-pyrazole-3-carboxylic acid 
• 854700-36-0 5-(4-nitro-phenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid 
• 62089-28-5 5-(4-nitrophenyl)-1-phenyl-1H-pyrazole 
• 100-63-0 phenylhydrazine 
• 10199-57-2 5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid 
• 109-72-8 n-butyllithium 
• 60-29-7 diethyl ether 
• 93323-27-4 (E)-1-phenyl-5-styryl-1H-pyrazole 

Downstream Products

• 55115-07-6 1-Phenylpyrazol-5-carbonsaeure-methylester 
• 1293280-52-0 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-phenyl-1H-pyrazol-5-yl)carbonyl]octahydropyrrolo[3,4-c]pyrrole 
• 423768-37-0 1-phenyl-1H-pyrazole-5-carbonyl chloride 

Relevant articles and documents

Redox-Neutral Photocatalytic C?H Carboxylation of Arenes and Styrenes with CO2

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Macrocyclic prolinyl acyl guanidines as inhibitors of β-secretase (BACE)

The synthesis, evaluation, and structure-activity relationships of a class of acyl guanidines which inhibit the BACE-1 enzyme are presented. The prolinyl acyl guanidine chemotype (7c), unlike compounds of the parent isothiazole chemotype (1), yielded compounds with good agreement between their enzymatic and cellular potency as well as a reduced susceptibility to P-gp efflux. Further improvements in potency and P-gp ratio were realized via a macrocyclization strategy. The in vivo profile in wild-type mice and P-gp effects for the macrocyclic analog 21c is presented.