Skip to main content
2-ACETONICOTINIC ACID CAS#: 89942-59-6
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name2-ACETONICOTINIC ACIDIUPAC Name2-acetylpyridine-3-carboxylic acidMolecular StructureCAS Registry Number 89942-59-6MDL NumberMFCD05662419Synonyms2-Acetylnicotinic acid89942-59-62-acetylpyridine-3-carboxylic Acid3-Pyridinecarboxylic acid, 2-acetyl-2-AcetylnicotinicacidSCHEMBL2584629AMY9400DTXSID20888701JYUCDFZMJMRPHS-UHFFFAOYSA-NMFCD05662419AKOS006295456SB54033FT-0642150EN300-206970O10637A8433792-(Bromomethyl)-6,7-dichloro-2,3-dihydrobenzodioxineMolecular FormulaC8H7NO3Molecular Weight165.15InChIInChI=1S/C8H7NO3/c1-5(10)7-6(8(11)12)3-2-4-9-7/h2-4H,1H3,(H,11,12)InChI KeyJYUCDFZMJMRPHS-UHFFFAOYSA-N  Isomeric SMILESCC(=O)C1=C(C=CC=N1)C(=O)O  

Physical Data

AppearancePowder

Melting Point, °C Solvent (Melting Point) 127 - 128methanol, diethyl ether, hexane127 - 128benzene130127H2O

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Chemical shifts1HCDCl3Spin-spin coupling constantsCDCl3Chemical shifts13Cdimethylsulfoxide-d6Chemical shifts1HCDCl3, dimethylsulfoxide-d6

Description (IR Spectroscopy)Solvent (IR Spectroscopy)BandsBandsSpectrum

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1Absorption maximaH2O2702570

Route of Synthesis (ROS)

Route of Synthesis (ROS) 2-ACETONICOTINIC ACID CAS 89942-59-6

ConditionsYieldStage #1: 8-methylquinoline With sulfuric acid; oxygen; ozone In water at 1℃;Stage #2: With air In water at 60℃; for 2h;Stage #3: With sodium hydroxide In waterWith hydrogen In ethyl acetate at 20℃; under 7600.51 Torr; for 6h; Autoclave;Experimental Procedure250 kg of 8-methylquinoline (1.75 kmol) were dissolved in 3200 liters of water and 180 kg of 96% strength sulfuric acid (1.75 kmol).. The solution was cooled to a temperature of 1° C., and then a stream of oxygen which contained 50 to 60 g/M3 of ozone was introduced.. This was continued until the residual content of 8-methylquinoline was about 1 gram/liter (determination by means of GC).70%With sulfuric acid; dihydrogen peroxide; ozone 1.) HOAc, water, 0-5 deg C, 30 h, 2.) 45 deg C, 1.5 h; Yield given. Multistep reaction;

Safety and Hazards

Pictogram(s)SignalWarningGHS Hazard StatementsH315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (100%): May cause respiratory irritation Precautionary Statement CodesP261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from lightHS CodeStorageUnder room temperature away from lightShelf Life2 yearsMarket Price

DruglikenessLipinski rules componentMolecular Weight165.148logP0.351HBA4HBD1Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)67.26Rotatable Bond (RotB)2Matching Veber Rules2

Use Pattern2-ACETONICOTINIC ACID CAS#: 89942-59-6 is used in a Pesticide intermediates.
https://www.chemwhat.com/2-acetonicotinic-acid-cas-89942-59-6/

Comments

Post a Comment

Popular posts from this blog

BCB (Benzocyclobutene): — Watson International Enables the Transition from Concept to Scalable Application

Benzocyclobutene (BCB) is an organic compound with a rigid molecular structure composed of a conjugated benzene ring and a four-membered ring. Its excellent thermal stability and electrical properties have made it a highly promising candidate for next-generation electronic materials. Historically, its industrial adoption has been constrained by high production costs, complex purification processes, and limited output. However, with growing demand in high-end applications and recent advances in upstream technology, BCB is now poised for industrial-scale deployment. Material Properties and Structural Advantages BCB (C₈H₈) is a non-polar molecule, free of ester, carboxyl, or amide groups, giving it excellent dielectric properties and low moisture absorption. Its dielectric constant (Dk) and dissipation factor (Df) remain stable across wide temperature and frequency ranges—key metrics for ensuring signal integrity in high-frequency, high-speed communication systems. Unlike conventional m...
Post a Comment
Read more

BCB (Benzocyclobutene): — Watson International Enables the Transition from Concept to Scalable Application

Despite BCB’s well-established performance advantages, its commercialization has long been hindered by production cost and scalability challenges. Watson International has made critical breakthroughs in BCB industrialization through integrated innovation in synthesis, purification, and material formulation: Cost Reduction: By optimizing synthetic pathways and improving by-product recovery, Watson has significantly reduced the unit production cost of BCB, enabling cost-effective scaling; High Purity Production: Advanced purification and process control technologies ensure high-purity BCB under mass-production conditions—meeting stringent requirements from high-end electronic manufacturers; Versatile Co-polymerization: Watson’s BCB materials are compatible with other advanced resins such as BMI and PPO, allowing for custom co-polymer design and performance tuning.
Post a Comment
Read more

The World's Largest Producer of Squaric Acid Emerges: Watson Leads the Way

In a groundbreaking development for the chemical industry, Watson has officially claimed the title of the world’s largest producer of squaric acid. This achievement marks a significant milestone, positioning the company as a global leader in the production of this highly versatile compound, widely valued in pharmaceuticals, polymer research, and advanced materials. What is Squaric Acid? Squaric acid, also known as quadratic acid, is a four-carbon cyclic diketone with two ketone groups and two hydroxyl groups arranged symmetrically. It is renowned for its stability and strong acidity, making it a unique compound in both organic and inorganic chemistry. Its derivatives find applications in creating advanced coatings, conductive polymers, and as intermediates in drug synthesis. Watson: Redefining Excellence in Squaric Acid Production Watson’s rise to the top of the squaric acid industry is backed by its unmatched production capacity, cutting-edge technology, and unwavering commitment...
Post a Comment
Read more