103863-14-5

Basic information

• Product Name: 4-PHENYLNICOTINIC ACID
• Synonyms: 4-PHENYLNICOTINIC ACID;4-PHENYLPYRIDINE-3-CARBOXYLIC ACID
• CAS NO: 103863-14-5
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.21
• Mol File: 103863-14-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 148-150 °C
• Boiling Point: 353.7 °C at 760 mmHg
• Flash Point: 167.7 °C
• Appearance: /
• Density: 1.241 g/cm³
• Vapor Pressure: 1.3E-05mmHg at 25°C
• Refractive Index: 1.613
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.46±0.10(Predicted)
• CAS DataBase Reference: 4-PHENYLNICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PHENYLNICOTINIC ACID(103863-14-5)
• EPA Substance Registry System: 4-PHENYLNICOTINIC ACID(103863-14-5)

Safety Data

• Hazardous Substances Data: 103863-14-5(Hazardous Substances Data)

Usage

General Description

4-Phenylnicotinic acid, also known as 4-PNA, is a chemical compound that belongs to the class of pyridinecarboxylic acids. It is a derivative of nicotinic acid, which is a precursor to the coenzyme nicotinamide adenine dinucleotide (NAD+). 4-PNA is a potential pharmaceutical intermediate and is being studied for its potential therapeutic applications. The compound has shown promising anti-inflammatory and antioxidant properties, and it is being investigated for its potential role in the treatment of various diseases, including cancer and neurodegenerative disorders. Additionally, 4-PNA has been used in organic synthesis and chemical research as a building block in the development of new compounds with potential pharmaceutical and industrial applications.

InChI:InChI=1/C12H9NO2/c14-12(15)11-8-13-7-6-10(11)9-4-2-1-3-5-9/h1-8H,(H,14,15)

Upstream product

• 70647-05-1 4-phenylpyridine-3-carboxylic acid methyl ester 
• 10177-29-4 4-chloronicotinic acid 
• 98-80-6 phenylboronic acid 
• 68981-85-1 3-(4',4'-dimethyl-4',5'-dihydro-oxazol-2'-yl)-4-phenylpyridine 
• 504-77-8 4,5-dihydro-1,3-oxazol 

Downstream Products

• 5061-91-6 9H-indeno(2,1-c)pyridin-9-one 
• 114140-04-4 1-Ethyl-1,2,5,6-tetrahydro-4-phenyl-3-pyridinecarboxylic acid, 1-methylethyl ester, oxalate 
• 171805-34-8 1-Ethyl-1,2,3,6-tetrahydro-4-phenyl-3-pyridinecarboxylic acid, 2-(4-chlorophenyl)ethyl ester, oxalate 
• 171805-36-0 1-Ethyl-1,2,3,6-tetrahydro-4-phenyl-3-pyridinecarboxylic acid, 2-(4-methylphenyl)ethyl ester, oxalate 
• 439118-30-6 2-aza-9-hydroxy-9-fluorenylcarbonyl-L-prolyl-2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzylamide 

Relevant articles and documents

Nitrogen introduction of spirobifluorene to form α-, β-, γ-, and δ-aza-9,9′-spirobifluorenes: New bipolar system for efficient blue organic light-emitting diodes

Four aza-9,9′-spirobifluorenes (aza-SBFs) with nitrogen atom at different positions of one fluorene moiety were synthesized to study the structure-properties relationships. α-Aza-SBF and β-aza-SBF possessed almost completely separated the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), while γ-aza-SBF and δ-aza-SBF showed overlapped HOMO and LUMO orbitals. The aza-SBFs showed excellent bipolar features and good thermal stabilities than those of SBFs. The maximum current efficiencies (CE) of α-, β-, γ-, and δ-aza-SBF-based OLEDs were 28.8, 24.9, 25.5, and 27.2 cd/A, respectively. Compared to the SBF, all of four aza-SBFs showed better devices performances. The CE and power efficiency (PE) of OLED based on α-aza-SBF was 28.8 cd/A and 22.6 lm/W, while the SBF-based OLED was only 12.3 cd/A and 8.2 lm/W. The maximum external quantum efficiency of α-aza-SBF-based OLED was 15.4%, which was 2.5 times than that of the SBF-based one (6.6%) due to introduction of nitrogen improving electron transporting. Novel materials based on these components and their potential applications in organic electronics were expected due to their excellent bipolar features.

Nicotinic acid adenine dinucleotide phosphate analogues containing substituted nicotinic acid: Effect of modification on Ca2+ release

Analogues of nicotinic acid adenine dinucleotide phosphate (NAADP) with substitution at either the 4- or the 5-position position of the nicotinic acid moiety have been synthesized from NADP enzymatically using Aplysia californica ADP-ribosyl cyclase or mammalian NAD glycohydrolase. Substitution at the 4-position of the nicotinic acid resulted in the loss of agonist potency for release of Ca2+-ions from sea urchin egg homogenates and in potency for competition ligand binding assays using [32P]NAADP. In contrast, several 5-substituted NAADP derivatives showed high potency for binding and full agonist activity for Ca2+ release. 5-Azido-NAADP was shown to release calcium from sea urchin egg homogenates at low concentration and to compete with [32P]NAADP in a competition ligand binding assay with an IC50 of 18 nM, indicating that this compound might be a potential photoprobe useful for specific labeling and identification of the NAADP receptor.

Substituted tetrahydropyridine and piperidine carboxylic acids as muscarinic antagonists

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