Methyl isonipecotate - ≥98% , CAS No.2971-79-1

CAS: 2971-79-1 Cat. No.: I135762 Summenformel: C₇H₁₃NO₂ Molekulargewicht: 143.19 Beilstein Registry Number: 22(4)128 EG-Nummer: 629-683-9

GRADE & PURITY ≥98%

Synonyms

AM20090394 | Methyl piperidine-4-carboxylate; Methyl 4-piperidinecarboxylate; 4-Piperidinecarboxylic acid methyl ester;Methyl piperidine-4-carboxylate | A820022 | SCHEMBL5163 | methyl 4-piperidinylcarboxylate | J-522626 | Isonipecotic acid methvl ester |

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

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

Specifications

Synonyme

AM20090394 | Methyl piperidine-4-carboxylate; Methyl 4-piperidinecarboxylate; 4-Piperidinecarboxylic acid methyl ester;Methyl piperidine-4-carboxylate | A820022 | SCHEMBL5163 | methyl 4-piperidinylcarboxylate | J-522626 | Isonipecotic acid methvl ester |

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488189713
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189713
• Kanonisches Lächeln: COC(=O)C1CCNCC1
• IUPAC Name: methyl piperidine-4-carboxylate
• InChIKey: RZVWBASHHLFBJF-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
• Isomere SMILES: COC(=O)C1CCNCC1
• Molekulargewicht: 143.19
• Beilstein: 22(4)128
• Reaxy-Rn: 114975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114975&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: soluble in water
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.465
• Flammpunkt (°F): 192.2℉
• Flammpunkt (°C): 89°C(lit.)
• Siedepunkt (°C): 93 °C
• Molekulargewicht: 143.180 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2971-79-1, the molecular formula is C7H13NO2, and the molecular weight is 143.19 g/mol. InChIKey RZVWBASHHLFBJF-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.