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

CAS: 14036-06-7 Cat. No.: D155579 Summenformel: C₇H₁₄O₄ Molekulargewicht: 162.19 EG-Nummer: 237-873-4

GRADE & PURITY ≥96%

Synonyms

AKOS005173939 | NSC158267 | NSC-158267 | 1,2,3,6-TETRAHYDRO-[2,4]BIPYRIDINYL | SY002886 | J-007376 | BCP04834 | Acetic Acid Diethoxymethyl Ester | Diethoxymethyl acetate | MFCD00009229 | AB11117 | QSPL 099 | Diethoxymethyl acetate, 96% | DTXSID80884547 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

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

Specifications

Synonyme

AKOS005173939 | NSC158267 | NSC-158267 | 1,2,3,6-TETRAHYDRO-[2,4]BIPYRIDINYL | SY002886 | J-007376 | BCP04834 | Acetic Acid Diethoxymethyl Ester | Diethoxymethyl acetate | MFCD00009229 | AB11117 | QSPL 099 | Diethoxymethyl acetate, 96% | DTXSID80884547 |

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 528769464
• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC(OCC)OC(=O)C
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Orthocarboxylic acid derivatives
      • Subclass Carboxylic acid orthoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: n20/D 1.399
• Flammpunkt (°F): 80.6 °F
• Flammpunkt (°C): 27°C(lit.)
• Molekulargewicht: 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