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

CAS: 7598-61-0 Cat. No.: D137358 분자식: C₁₀H₂₃O₅P 분자량: 254.26 Beilstein Registry Number: 4(4)3603 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥96%(GC)

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥96%(GC)

이름과 식별자

• Pubchem Sid: 508807567
• 정식 스마일: 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
• 이성체 SMILES: CCOC(CP(=O)(OCC)OCC)OCC
• WGK 독일: 3
• 분자량: 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
    • 분류 Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in chloroform and dichloromethane. Not miscible or difficult to mix in water.
• 감도: Light Sensitive,Heat Sensitive;Hygroscopic
• 굴절률: 1.43
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 130 °C/2 mmHg
• 분자량: 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