119-18-6 | 5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$19.00	$13.00
5g	95%	in stock	$34.00	$24.00
25g	95%	in stock	$94.00	$66.00
100g	95%	in stock	$277.00	$194.00

Description

• Catalog Number: AI12215
• Chemical Name: 5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid
• CAS Number: 119-18-6
• Molecular Formula: C10H8N2O3
• Molecular Weight: 204.18212000000003
• MDL Number: MFCD00037318
• SMILES: OC(=O)C1=NN(C(=O)C1)c1ccccc1

Computed Properties

• Complexity: 319
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.9

Upstream Synthesis Route

5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis. In organic chemistry, this compound acts as a key building block for the synthesis of various heterocyclic compounds. Its unique structure and reactivity make it an essential component in the preparation of pharmaceuticals, agrochemicals, and materials science.One notable application of 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid is its role as a precursor in the synthesis of novel pyrazole derivatives. By reacting with different reagents and functional groups, this compound can undergo diverse chemical transformations to yield a wide range of substituted pyrazole derivatives. These derivatives exhibit interesting biological activities and have significant potential in drug discovery and development.Moreover, 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid can participate in multi-step synthesis processes to construct complex molecules with specific structural features. Its ability to introduce the pyrazole ring system into organic molecules makes it a valuable tool for designing new compounds with desired properties.Overall, the application of 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid in chemical synthesis showcases its importance as a versatile building block in the creation of innovative and functional organic compounds.

Literature

• Small molecule inhibitors of SHP2 tyrosine phosphatase discovered by virtual screening.

  Bioorganic & medicinal chemistry letters 20110715

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501