Ethyl N-Boc-4-allylpiperidine-4-carboxylate - ≥90% , CAS No.146603-99-8

CAS: 146603-99-8 Cat. No.: E167357 Peso molecular: 297.39 Número EC: 693-890-0

GRADE & PURITY ≥90%

Synonyms

2-Methyl-3-nitrophenylacetic acid, 97% | AS-76468 | 1,4-Piperidinedicarboxylicacid,4-(2-propen-1-yl)-,1-(1,1-dimethylethyl)4-ethyl ester | SB43783 | 4-allyl piperidine-1,4-dicarboxylic acid-1-tert-butylester-4-ethyl ester | FOOVEGXEARQUBR-UHFFFAOYSA-N | 4

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Application：

Reactant for synthesis of T-type calcium channel antagonists

Specifications

Sinónimos

2-Methyl-3-nitrophenylacetic acid, 97% | AS-76468 | 1, 4-Piperidinedicarboxylicacid, 4-(2-propen-1-yl)-, 1-(1, 1-dimethylethyl)4-ethyl ester | SB43783 | 4-allyl piperidine-1, 4-dicarboxylic acid-1-tert-butylester-4-ethyl ester | FOOVEGXEARQUBR-UHFFFAOYSA-N | 4

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488199296
• Sonrisas canónicas: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C
• IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-prop-2-enylpiperidine-1,4-dicarboxylate
• InChIKey: FOOVEGXEARQUBR-UHFFFAOYSA-N
• INCHI: 1S/C16H27NO4/c1-6-8-16(13(18)20-7-2)9-11-17(12-10-16)14(19)21-15(3,4)5/h6H,1,7-12H2,2-5H3
• Isómeros SMILES: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C
• WGK Alemania: 3
• Peso molecular: 297.39
• Reaxy-Rn: 9138168
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9138168&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Fatty acid esters Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Fatty acid ester - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 297.390 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 297.194 Da
• Monoisotopic Mass: 297.194 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 390.000
• 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