1201-99-6 | 2,4-Dichlorocinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$14.00	$10.00
5g	97%	in stock	$17.00	$12.00
10g	97%	in stock	$28.00	$19.00
25g	97%	in stock	$47.00	$33.00
100g	97%	in stock	$145.00	$102.00

Description

• Catalog Number: AA33882
• Chemical Name: 2,4-Dichlorocinnamic acid
• CAS Number: 1201-99-6
• Molecular Formula: C9H6Cl2O2
• Molecular Weight: 217.0487
• MDL Number: MFCD00004373
• SMILES: OC(=O)C=Cc1ccc(cc1Cl)Cl

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3

Upstream Synthesis Route

2,4-Dichlorocinnamic acid, also known as 2,4-DCCA in chemical synthesis, serves as a crucial building block for the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its versatile nature allows it to be utilized in the synthesis of complex organic molecules through various chemical reactions such as esterification, halogenation, and reduction processes. The presence of chlorine atoms in the molecular structure of 2,4-DCCA imparts unique reactivity, making it a valuable tool in the development of novel compounds with desired properties. Additionally, 2,4-Dichlorocinnamic acid can participate in cross-coupling reactions, enabling the formation of carbon-carbon bonds in the construction of intricate molecular frameworks. Its strategic placement of functional groups makes 2,4-DCCA an indispensable component in the advancement of synthetic chemistry and the production of diverse chemical compounds with promising applications in industries ranging from pharmaceuticals to materials science.

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• Aspects of the photodimerization mechanism of 2,4-dichlorocinnamic acid studied by kinetic photocrystallography.

  The journal of physical chemistry. A 20060309