Diethyl 2,2-Diethoxyethylphosphonate - ≥96%(GC) , CAS No.7598-61-0

CAS: 7598-61-0 Cat. No.: D137358 分子式: C₁₀H₂₃O₅P 分子量: 254.26 Beilstein Registry Number: 4(4)3603 EC番号: 231-504-0

GRADE & PURITY ≥96%(GC)

Synonyms

Diethyl 2,2-Diethoxethylphosphonate | NSC 77101 | Diethyl 2,2-diethoxyethylphosphonate | diethyl(2,2-diethoxyethyl)phosphonate | Diethylphosphonoacetaldehyde Diethyl Acetal | SN-513 | FT-0609221 | Diethyl phosphonacetaldehyde diethyl acetal | Phosphonic a

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

概要

Application

Reactant for synthesis of:

α,β-Alkenal derivatives by two-carbon homologation;

Lower rim-phosphonylated rexorcinol calix[4]arenes by condensation reactions;

α-Phosphovinyl radicals via a radical trapping sequence;

Inhibitors of reverse transcriptase via 1,3-dipolar cycloadditions.

Reactant for Friedel-Crafts reactions.

Specifications

同義語

Diethyl 2,2-Diethoxethylphosphonate | NSC 77101 | Diethyl 2,2-diethoxyethylphosphonate | diethyl(2,2-diethoxyethyl)phosphonate | Diethylphosphonoacetaldehyde Diethyl Acetal | SN-513 | FT-0609221 | Diethyl phosphonacetaldehyde diethyl acetal | Phosphonic a

仕様と純度

≥96%(GC)

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%(GC)

名前と識別子

• パブケム・シド: 508807567
• カノニカル・スマイル: CCOC(CP(=O)(OCC)OCC)OCC
• IUPAC Name: 2-diethoxyphosphoryl-1,1-diethoxyethane
• InChIKey: LUQYELQXRPNKRY-UHFFFAOYSA-N
• INCHI: 1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3
• 異性体SMILES: CCOC(CP(=O)(OCC)OCC)OCC
• WGKドイツ: 3
• 分子量: 254.26
• Beilstein: 4(4)3603
• Reaxy-Rn: 1785614
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785614&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Acetals Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Acetal - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in chloroform and dichloromethane. Not miscible or difficult to mix in water.
• 感度: Light Sensitive,Heat Sensitive;Hygroscopic
• 屈折率: 1.43
• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 130 °C/2 mmHg
• 分子量: 254.260 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 254.128 Da
• Monoisotopic Mass: 254.128 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 193.000
• 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