463485

Methylisonipecotat

technical grade

• Synonym(e): Piperidin-4-carbonsäure-methylester
• Empirische Formel (Hill-System): C₇H₁₃NO₂
• CAS-Nummer: 2971-79-1
• Molekulargewicht: 143.18
• NACRES: NA.22
• PubChem Substance ID: 24870073
• UNSPSC Code: 12352100
• MDL number: MFCD00190578

Eigenschaften

• grade: technical grade
• Quality Segment: 100
• refractive index: n20/D 1.465 (lit.)
• bp: 85-90 °C (lit.)
• density: 1.06 g/mL at 25 °C (lit.)
• functional group: ester
• SMILES string: COC(=O)C1CCNCC1
• InChI: 1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
• InChI key: RZVWBASHHLFBJF-UHFFFAOYSA-N

Beschreibung

General description

Methyl isonipecotate can be obtained by the reduction of methyl isonicotinate in methanol with ruthenium at 100-150°C.

Application

Methyl isonipecotate may be used for the synthesis of a series of potent non-urea soluble epoxide hydrolase (sEH) inhibitors via high throughput screens.

Precipitate may form upon standing which should not affect application.

Reactant for C-2 arylation of piperidines through directed transition metal-catalyzed sp3 C-H activation

Reactant for synthesis of:
Antitubercular agents
Anti-HIV-1 agents
Aminopyrazine inhibitors
Orally available naphthyridine protein kinase D inhibitors
A Scalable catalyst from asymmetric hydrogenation of sterically demanding aryl enamide

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• Gefahrencodes: H315,H319,H335
• Sicherheitshinweise: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklasse: 10 - Combustible liquids
• Was ist los?: WGK 3
• Flammpunkt (°F): 192.2 °F - closed cup
• Flammpunkt (°C): 89 °C - closed cup
• PSA (Persönliche Schutzausrüstung): Eyeshields, Gloves, type ABEK (EN14387) respirator filter