5-(Diphenylphosphinyl)pentanoic Acid - ≥95% , CAS No.71140-70-0

CAS: 71140-70-0 Cat. No.: D352891 Molecular Weight: 302.30 EC Number: 682-022-6

GRADE & PURITY ≥95%

Synonyms

85XU9N374E | CHEBI:187316 | 5-(Diphenylphosphinyl)pentanoic acid | Pentanoic acid, 5-(diphenylphosphinyl)- | 4-Carboxybutyldiphenylphosphine Oxide | 5-diphenylphosphorylpentanoic Acid | AKOS027314037 | Diphenylphosphine Acid | SCHEMBL9463186 | 5-(Diphenyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

The Wittig reaction is a frequently used method for olefin synthesis involving an aldehyde or ketone and a phosphorane ylide. DPP is a common by-product of this reaction and can be used as a standard in analyzing products of synthetic routes that use the Wittig reaction.

Specifications

Synonyms

85XU9N374E | CHEBI:187316 | 5-(Diphenylphosphinyl)pentanoic acid | Pentanoic acid, 5-(diphenylphosphinyl)- | 4-Carboxybutyldiphenylphosphine Oxide | 5-diphenylphosphorylpentanoic Acid | AKOS027314037 | Diphenylphosphine Acid | SCHEMBL9463186 | 5-(Diphenyl

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: 504765432
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765432
• Canonical Smiles: C1=CC=C(C=C1)P(=O)(CCCCC(=O)O)C2=CC=CC=C2
• IUPAC Name: 5-diphenylphosphorylpentanoic acid
• InChIKey: KIGXMYYGQYMICF-UHFFFAOYSA-N
• INCHI: 1S/C17H19O3P/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,18,19)
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(CCCCC(=O)O)C2=CC=CC=C2
• Molecular Weight: 302.30
• Reaxy-Rn: 2874593
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2874593&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylphosphine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

• Sensitivity: Hygroscopic
• Molecular Weight: 302.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 302.107 Da
• Monoisotopic Mass: 302.107 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 346.000
• 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