1-Boc-4-fluoro-4-formylpiperidine - ≥95% , CAS No.614731-09-8

CAS: 614731-09-8 Cat. No.: B730554 Molecular Weight: 231.26

GRADE & PURITY ≥95%

Synonyms

tert-Butyl 4-fluoro-4-formylpiperidine-1-carboxylate | 1-Piperidinecarboxylic acid, 4-fluoro-4-formyl-, 1,1-dimethylethyl ester | 1-Piperidinecarboxylic acid, 4-fluoro-4-formyl-, 1,1-dimethylethyl ester

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

tert-Butyl 4-fluoro-4-formylpiperidine-1-carboxylate | 1-Piperidinecarboxylic acid, 4-fluoro-4-formyl-, 1, 1-dimethylethyl ester | 1-Piperidinecarboxylic acid, 4-fluoro-4-formyl-, 1, 1-dimethylethyl ester

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528754200
• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(CC1)(C=O)F
• IUPAC Name: tert-butyl 4-fluoro-4-formylpiperidine-1-carboxylate
• InChIKey: GRSPYCFNEDACGF-UHFFFAOYSA-N
• INCHI: 1S/C11H18FNO3/c1-10(2,3)16-9(15)13-6-4-11(12,8-14)5-7-13/h8H,4-7H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C=O)F
• Alternate CAS: 614731-09-8
• Molecular Weight: 231.26

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 Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - 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

Chemical and Physical Properties

• Molecular Weight: 231.260 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 231.127 Da
• Monoisotopic Mass: 231.127 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 277.000
• 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