179898-00-1

Basic information

• Product Name: TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE
• Synonyms: TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE;N-Boc-3,4-dihydroquinoline-4(2H)-one;4-Oxo-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
• CAS NO: 179898-00-1
• Molecular Formula: C₁₄H₁₇NO₃
• Molecular Weight: 247.3
• Mol File: 179898-00-1.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 360.706°C at 760 mmHg
• Flash Point: 171.949°C
• Appearance: /
• Density: 1.172g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.547
• Storage Temp.: 2-8°C
• PKA: -1.91±0.20(Predicted)
• CAS DataBase Reference: TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE(179898-00-1)
• EPA Substance Registry System: TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE(179898-00-1)

Safety Data

• Hazardous Substances Data: 179898-00-1(Hazardous Substances Data)

Usage

General Description

Tert-butyl 4-oxo-3,4-dihydroquinoline-1(2H)-carboxylate is a chemical compound with the molecular formula C15H19NO3. It is a carboxylate ester that belongs to the quinoline class of organic compounds. This chemical is commonly used in the synthesis of pharmaceuticals and agrochemicals. It has been identified as having potential pharmacological and biological activities and is the subject of ongoing research for its potential therapeutic applications. Tert-butyl 4-oxo-3,4-dihydroquinoline-1(2H)-carboxylate is a valuable compound with versatile applications in the field of medicinal and agricultural chemistry.

InChI:InChI=1/C14H17NO3/c1-14(2,3)18-13(17)15-9-8-12(16)10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3

Upstream product

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Relevant articles and documents

Manganese-Catalyzed Asymmetric Oxidation of Methylene C-H of Spirocyclic Oxindoles and Dihydroquinolinones with Hydrogen Peroxide

A highly efficient strategy for the enantioselective oxidation of methylene C-H of spirocyclic oxindoles and dihydroquinolinones has been established, in which an earth-abundant manganese catalyst and hydrogen peroxide are used. Noteworthy, the manganese catalyst can be applied to the asymmetric hydroxylation of spirocyclic 2,3-dihydroquinolin-4-ones with 94-99% ee.

Multi-Functional Oxidase Activity of CYP102A1 (P450BM3) in the Oxidation of Quinolines and Tetrahydroquinolines

Tetrahydroquinoline, quinoline, and dihydroquinolinone are common core motifs in drug molecules. Screening of a 48-variant library of the cytochrome P450 enzyme CYP102A1 (P450BM3), followed by targeted mutagenesis based on mutation-selectivity correlations from initial hits, has enabled the hydroxylation of substituted tetrahydroquinolines, quinolines, and 3,4-dihydro-2-quinolinones at most positions around the two rings in good to high yields at synthetically relevant scales (1.5 g L?1 day?1). Other oxidase activities, such as C?C bond desaturation, aromatization, and C?C bond formation, were also observed. The enzyme variants, with mutations at the key active site residues S72, A82, F87, I263, E267, A328, and A330, provide direct and sustainable routes to oxy-functionalized derivatives of these building block molecules for synthesis and drug discovery.

DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS

Compounds of formula I: I are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.