Diethoxymethyl Acetate - ≥96% , CAS No.14036-06-7

CAS: 14036-06-7 Cat. No.: D155579 Fórmula: C₇H₁₄O₄ Peso molecular: 162.19 Número CE: 237-873-4

GRAU & PUREZA ≥96%

Synonyms

1,2,3,6-TETRAHYDRO-[2,4]BIPYRIDINYL|Acetic Acid Diethoxymethyl Ester|Diethoxymethyl acetate|Methanol, 1,1-diethoxy-, 1-acetate|Methanol, diethoxy-, acetate|Diethoxy-acetic acid methyl ester|Methyl2,2-diethoxyacetate|Diethoxymethylacetate|Methyl 2,2-diethoxyacetate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Diethoxymethyl acetate was used in the synthesis of D-mannosyl, D-galactosyl and D-glucosyl theophylline nucleosides.

Especificações

Sinónimos

1,2,3,6-TETRAHYDRO-[2,4]BIPYRIDINYL | Acetic Acid Diethoxymethyl Ester | Diethoxymethyl acetate | Methanol, 1,1-diethoxy-, 1-acetate | Methanol, diethoxy-, acetate | Diethoxy-acetic acid methyl ester | Methyl2,2-diethoxyacetate | Diethoxymethylacetate | Methyl 2,2-diethoxyacetate

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

528769464

Sorrisos canónicos

CCOC(OCC)OC(=O)C

IUPAC Name

diethoxymethyl acetate

InChIKey

IRUNKQSGDBYUDC-UHFFFAOYSA-N

INCHI

1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3

SMILES isoméricas

CCOC(OCC)OC(=O)C

WGK Alemanha

3

Peso molecular

162.19

Reaxy-Rn

1209886

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Orthocarboxylic acid derivatives
      • Subclass Carboxylic acid orthoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Orthocarboxylic acid derivatives
• Subclass: Carboxylic acid orthoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid orthoesters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid orthoester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acid orthoesters. These are carboxylic acid derivatives containing a carbon atom form three single bonds, each with one oxygen atom.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: n20/D 1.399
• Ponto de inflamação (°F): 80.6 °F
• Ponto de inflamação (°C): 27°C(lit.)
• Peso molecular: 162.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 162.089 Da
• Monoisotopic Mass: 162.089 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• 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