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

CAS: 14036-06-7 Cat. No.: D155579 분자식: C₇H₁₄O₄ 분자량: 162.19 EC 번호: 237-873-4

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥96%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥96%

이름과 식별자

Pubchem Sid

528769464

정식 스마일

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

이성체 SMILES

CCOC(OCC)OC(=O)C

WGK 독일

3

분자량

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
    • 분류 Orthocarboxylic acid derivatives
      • Subclass Carboxylic acid orthoesters

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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 굴절률: n20/D 1.399
• 발화점(°F): 80.6 °F
• 발화점(°C): 27°C(lit.)
• 분자량: 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