Ethyl (R)-1-Boc-4-oxopiperidine-2-carboxylate - ≥97% , CAS No.357154-16-6

CAS: 357154-16-6 Cat. No.: E469127 Molecular Weight: 271.31 EC Number: 685-980-3

GRADE & PURITY ≥97%

Synonyms

AKOS027321566 | AS-51492 | P12788 | Ethyl (R)-1-Boc-4-oxopiperidine-2-carboxylate, 97% | (R)-1-tert-Butyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate | (R)-1-Boc-4-oxo-piperidine-2-carboxylic acid ethyl ester | 1-O-tert-butyl 2-O-ethyl (2R)-4-oxopiperidine-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

Ethyl (R)-1-Boc-4-oxopiperidine-2-carboxylate can be used as a key intermediate in the preparation of 4-oxopipecolic acid enantiomer, a non-proteinogenic amino acid having antibiotic activity.

Specifications

Synonyms

AKOS027321566 | AS-51492 | P12788 | Ethyl (R)-1-Boc-4-oxopiperidine-2-carboxylate, 97% | (R)-1-tert-Butyl 2-ethyl 4-oxopiperidine-1, 2-dicarboxylate | (R)-1-Boc-4-oxo-piperidine-2-carboxylic acid ethyl ester | 1-O-tert-butyl 2-O-ethyl (2R)-4-oxopiperidine-

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504771905
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771905
• Canonical Smiles: CCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C
• IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2R)-4-oxopiperidine-1,2-dicarboxylate
• InChIKey: YAVQLRUBKDCOCI-SNVBAGLBSA-N
• INCHI: 1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-/m1/s1
• Isomeric SMILES: CCOC(=O)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C
• Molecular Weight: 271.31
• Reaxy-Rn: 4297140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4297140&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Piperidinecarboxylic acids Gamma-keto acids and derivatives Piperidinones Fatty acid esters Carbamate esters Organic carbonic acids and derivatives Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Piperidinecarboxylic acid - Gamma-keto acid - Piperidinone - Fatty acid ester - Fatty acyl - Piperidine - Keto acid - Carbamic acid ester - Cyclic ketone - Carbonic acid derivative - Ketone - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Chemical and Physical Properties

• Molecular Weight: 271.310 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 271.142 Da
• Monoisotopic Mass: 271.142 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 372.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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