Ethyl N-Boc-piperidine-4-carboxylate - ≥97% , CAS No.142851-03-4

CAS: 142851-03-4 Cat. No.: E137463 Molecular Weight: 257.33 EC Number: 629-436-5

GRADE & PURITY ≥97%

Synonyms

1-(tert-butyl) 4-ethyl tetrahydro-1,4(2h)-pyridinedicarboxylate | 1-Boc-piperidine-4-carboxylicacidethylester | STL185663 | 1-Boc-4-piperidinecarboxylic Acid Ethyl Ester | Ethyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylate | Ethyl N-Boc-piperidine-4-ca

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Usually used in a palladium-catalyzed α-arylation of esters with heterocyclic bromides and chlorides; which can lead to 4-pyridylpiperidinyl esters.

Specifications

Synonyms

1-(tert-butyl) 4-ethyl tetrahydro-1, 4(2h)-pyridinedicarboxylate | 1-Boc-piperidine-4-carboxylicacidethylester | STL185663 | 1-Boc-4-piperidinecarboxylic Acid Ethyl Ester | Ethyl 1-(tert-butoxycarbonyl)-4-piperidinecarboxylate | Ethyl N-Boc-piperidine-4-ca

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: 504761539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761539
• Canonical Smiles: CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
• IUPAC Name: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate
• InChIKey: MYHJCTUTPIKNAT-UHFFFAOYSA-N
• INCHI: 1S/C13H23NO4/c1-5-17-11(15)10-6-8-14(9-7-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
• Isomeric SMILES: CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
• WGK Germany: 3
• Molecular Weight: 257.33
• Reaxy-Rn: 6601553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6601553&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in CHCI3: 25 mg/ml
• Sensitivity: Hygroscopic,Heat Sensitive
• Refractive Index: 1.46
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 140 °C/0.098 mmHg
• Molecular Weight: 257.329 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.163 Da
• Monoisotopic Mass: 257.163 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 301.000
• 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