Ethyl N-Boc-4-methylpiperidine-4-carboxylate - ≥97% , CAS No.189442-87-3

CAS: 189442-87-3 Cat. No.: E124457 Peso molecular: 271.35 Número EC: 625-511-1

GRADE & PURITY ≥97%

Synonyms

Ethyl N-Boc-4-methylpiperidine-4-carboxylate | AC-2628 | EN300-130515 | SCHEMBL442966 | Ethyl N-Boc-4-methylpiperidine-4-carboxylate, 97% | 4-methyl piperidine-1,4-dicarboxylic acid-1-tert-butylester-4-ethyl ester | AS-35657 | 1-tert-Butoxycarbonyl-4-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl N-Boc-4-methylpiperidine-4-carboxylate | AC-2628 | EN300-130515 | SCHEMBL442966 | Ethyl N-Boc-4-methylpiperidine-4-carboxylate, 97% | 4-methyl piperidine-1, 4-dicarboxylic acid-1-tert-butylester-4-ethyl ester | AS-35657 | 1-tert-Butoxycarbonyl-4-meth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768330
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768330
• Sonrisas canónicas: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C
• IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
• InChIKey: ZQZVWDXMUCTNRI-UHFFFAOYSA-N
• INCHI: 1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
• Isómeros SMILES: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C
• WGK Alemania: 3
• Peso molecular: 271.35
• Reaxy-Rn: 9772649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9772649&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: Carbamate esters Organic carbonic acids and derivatives 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 - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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

• Índice de refracción: 1.4554
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 271.350 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 271.178 Da
• Monoisotopic Mass: 271.178 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• 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