Diethyl Allylphosphonate - ≥95%(GC) , CAS No.1067-87-4

CAS: 1067-87-4 Cat. No.: D155796 Summenformel: C₇H₁₅O₃P Molekulargewicht: 178.17 Beilstein Registry Number: 4(4)3571 EG-Nummer: 619-646-5

GRADE & PURITY ≥95%(GC)

Synonyms

2-propenyl-phosphonic acid diethyl ester | J-001649 | D3069 | 3-diethoxyphosphoryl-prop-1-ene | 3-diethoxyphosphorylprop-1-ene | GEO-02809 | EC 619-646-5 | allyl phosphonic acid diethyl ester | DIETHYLALLYLPHOSPHONATE | FT-0633274 | A854728 | D90145 | Die

Storage

Room temperature

Shipped In

Normal

Übersicht

Reactant for: 

· Copolymerization of phosphonated allyl monomers and maleic anhydride

· Enantioselective synthesis of solamin type mono-THF acetogenins

· RCM reaction yielding oxaphospholene and oxaphosphinene heterocycles

· Synthesis of spongistatin 2 using Wittig coupling

· Stereoselective synthesis of pentacyclic furanosteroids

· Preparation of protected polyhydroxylated β -amino acid constitutents of microsclerodermins

Specifications

Synonyme

2-propenyl-phosphonic acid diethyl ester | J-001649 | D3069 | 3-diethoxyphosphoryl-prop-1-ene | 3-diethoxyphosphorylprop-1-ene | GEO-02809 | EC 619-646-5 | allyl phosphonic acid diethyl ester | DIETHYLALLYLPHOSPHONATE | FT-0633274 | A854728 | D90145 | Die

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 488190373
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190373
• Kanonisches Lächeln: CCOP(=O)(CC=C)OCC
• IUPAC Name: 3-diethoxyphosphorylprop-1-ene
• InChIKey: YPJHXRAHMUKXAE-UHFFFAOYSA-N
• INCHI: 1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
• Isomere SMILES: CCOP(=O)(CC=C)OCC
• WGK Deutschland: 3
• Molekulargewicht: 178.17
• Beilstein: 4(4)3571
• Reaxy-Rn: 1766603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4320 to 1.4360
• Flammpunkt (°C): 106 °C
• Siedepunkt (°C): 46 °C/0.35 mmHg
• Molekulargewicht: 178.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 178.076 Da
• Monoisotopic Mass: 178.076 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1067-87-4, the molecular formula is C7H15O3P, and the molecular weight is 178.17 g/mol. InChIKey YPJHXRAHMUKXAE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.