1013-96-3 | 2-Nitrocinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$11.00	$8.00
10g	98%	in stock	$20.00	$14.00
25g	98%	in stock	$40.00	$28.00
100g	98%	in stock	$94.00	$66.00
500g	98%	in stock	$449.00	$315.00

Description

• Catalog Number: AA05220
• Chemical Name: 2-Nitrocinnamic acid
• CAS Number: 1013-96-3
• Molecular Formula: C9H7NO4
• Molecular Weight: 193.1562
• MDL Number: MFCD00007189
• SMILES: OC(=O)/C=C/c1ccccc1[N+](=O)[O-]

Computed Properties

• Complexity: 256
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.5

Upstream Synthesis Route

(E)-3-(2-Nitrophenyl)acrylic acid is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. As a key intermediate in organic chemistry, this compound serves as a valuable building block for the synthesis of various important organic molecules. Its distinctive chemical structure, characterized by the presence of a nitro group and an acrylic acid moiety, allows for a range of synthetic transformations and functional group modifications.One of the primary applications of (E)-3-(2-Nitrophenyl)acrylic acid is in the synthesis of pharmaceutical compounds. By utilizing its specific reactivity, chemists can introduce this compound into complex molecular frameworks to incorporate essential functionalities for drug development. The presence of the nitro group enables further derivatization, leading to the creation of novel drug candidates with enhanced biological activities or improved pharmacokinetic properties.Moreover, (E)-3-(2-Nitrophenyl)acrylic acid plays a crucial role in the preparation of advanced materials and fine chemicals. Its participation in various organic reactions, such as cross-coupling reactions, cycloadditions, and reductions, allows for the efficient construction of intricate molecular structures. This versatility makes it a valuable tool for synthetic chemists seeking to access diverse chemical space and expand the scope of possible applications in material science and industrial chemistry.Overall, (E)-3-(2-Nitrophenyl)acrylic acid stands as a fundamental component in the toolkit of synthetic chemists, offering a wide range of possibilities for the creation of new compounds with desired properties. Its strategic use in chemical synthesis enables the development of innovative molecules with relevance in pharmaceuticals, materials science, and beyond.