113641-76-2

Basic information

• Product Name: 3-(4-iodophenyl)acrylic acid
• Synonyms: 3-(4-iodophenyl)acrylic acid;2-Propenoic acid, 3-(4-iodophenyl)-, (2E)-
• CAS NO: 113641-76-2
• Molecular Formula: C₉H₇IO₂
• Molecular Weight: 274.06
• Mol File: 113641-76-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 127.0 °C
• Boiling Point: 362.0±25.0 °C(Predicted)
• Appearance: /
• Density: 1.862±0.06 g/cm3(Predicted)
• PKA: 4.37±0.10(Predicted)
• CAS DataBase Reference: 3-(4-iodophenyl)acrylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-iodophenyl)acrylic acid(113641-76-2)
• EPA Substance Registry System: 3-(4-iodophenyl)acrylic acid(113641-76-2)

Safety Data

• Hazardous Substances Data: 113641-76-2(Hazardous Substances Data)

Upstream product

• 108-24-7 acetic anhydride 
• 15164-44-0 p-(iodophenyl)carboxaldehyde 
• 34633-08-4 (E)-ethyl 3-(4-iodophenyl)prop-2-enoate 
• 16004-15-2 1-bromomethyl-4-iodobenzene 
• 141-82-2 malonic acid 

Downstream Products

• 7400-08-0 p-Coumaric Acid 
• 1165738-50-0 (E)-N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(4-iodophenyl)acrylamide 
• 161634-73-7 trans-3-(4-iodophenyl)-2-propenoic acid ethyl ester 

Relevant articles and documents

Probing the Crystal Structure Landscape by Doping: 4-Bromo, 4-Chloro, and 4-Methylcinnamic Acids

Accessing the data points in the crystal structure landscape of a molecule is a challenging task, either experimentally or computationally. We have charted the crystal structure landscape of 4-bromocinnamic acid (4BCA) experimentally and computationally: experimental doping is achieved with 4-methylcinnamic acid (4MCA) to obtain new crystal structures; computational doping is performed with 4-chlorocinnamic acid (4CCA) as a model system, because of the difficulties associated in parameterizing the Br atom. The landscape of 4CCA is explored experimentally in turn, also by doping it with 4MCA, and is found to bear a close resemblance to the landscape of 4BCA, justifying the ready miscibility of these two halogenated cinnamic acids to form solid solutions without any change in crystal structure. In effect, 4MCA, 4CCA and 4BCA form a commutable group of crystal structures, which may be realized experimentally or computationally, and constitute the landscape. Unlike the results obtained by Kitaigorodskii, all but two of the multiple solid solutions obtained in the methyl-doping experiments take structures that are different from the hitherto observed crystal forms of the parent compounds. Even granted that the latter might be inherently polymorphic, this unusual observation provokes the suggestion that solid solution formation may be used to probe the crystal structure landscape. The influence of π???π interactions, weak hydrogen bonds and halogen bonds in directing the formation of these new structures is also seen.

Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists

We have developed a new class of diarylalkyl amides as novel TRPV1 antagonists. They exhibited potent 45Ca2+ uptake inhibitions in rat DRG neuron. In particular, the amide 59 was identified as a potent antagonist with IC50 of 57 nM. The synthesis and structure-activity relationship of the diarylalkyl amides are also described.

METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B

The invention provides methods for treating an individual having a retinoid responsive disorder. In one embodiment, a method involves administering to the individual an effective amount of a selective CYP26B inhibitor, the selective CYP26B inhibitor having at least 10-fold selectivity for CYP26B relative to CYP26A. In another embodiment, a method involves administering to the individual an effective amount of a selective CYP26A inhibitor, the selective CYP26A inhibitor having a chemical formula set forth in the specification. The invention further provides screening methods for identifying a selective CYP26A inhibitor or selective CYP26B inhibitor.