酢酸ジエトキシメチル - ≥96% , CAS No.14036-06-7

CAS: 14036-06-7 Cat. No.: D155579 分子式: C₇H₁₄O₄ 分子量: 162.19 EC番号: 237-873-4

グレード＆純度 ≥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

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

概要

酢酸ジエトキシメチルは、D-マンノシル、D-ガラクトシルおよびD-グルコシルテオフィリンヌクレオシドの合成に使用された。

仕様

同義語

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

仕様と純度

≥96%

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

純度

≥96%

名前と識別子

パブケム・シド

528769464

カノニカル・スマイル

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

異性体SMILES

CCOC(OCC)OC(=O)C

WGKドイツ

3

分子量

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
    • 分類 Orthocarboxylic acid derivatives
      • Subclass Carboxylic acid orthoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: n20/D 1.399
• 引火点（°F）: 80.6 °F
• 引火点（°C）: 27°C(lit.)
• 分子量: 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