2,2-Dimethoxyacetaldehyde solution - 60 wt. % in H2O , CAS No.51673-84-8

CAS: 51673-84-8 Cat. No.: D170733 Peso molecular: 104.1 Número EC: 639-748-3

GRADE & PURITY 60 wt. % in H2O

Synonyms

2,2-dimethoxyacetaldehyde | 2,2-dimethoxy-acetaldehyde | Dimethoxyacetaldehyde | dimethoxy-acetaldehyde | Glyoxal dimethyl acetal, 60% aq. soln | GLYOXALDIMETHYLACETAL | 2,2-Dimethoxyacetaldehyde (60 wt. % in H2O) | Glyoxal dimethyl acetal | A828726 | Ace

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

This product is a 60wt% solution of 2,2-dimethoxyacetaldehyde (glyoxal dimethyl acetal) in water. The aldol condensation of 2,2-dimethoxyacetaldehyde with acetoacetic ester in the absence of the catalyst and solvent has been reported. It participates in the synthesis of isoxazoline vinyl ester pseudopeptides and tetrahydro-β-carboline derivatives of barbituric acid analogs.

Specifications

Sinónimos

2, 2-dimethoxyacetaldehyde | 2, 2-dimethoxy-acetaldehyde | Dimethoxyacetaldehyde | dimethoxy-acetaldehyde | Glyoxal dimethyl acetal, 60% aq. soln | GLYOXALDIMETHYLACETAL | 2, 2-Dimethoxyacetaldehyde (60 wt. % in H2O) | Glyoxal dimethyl acetal | A828726 | Ace

Especificaciones y pureza

60 wt. % in H2O

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

• Pubchem Sid: 504757532
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757532
• Sonrisas canónicas: COC(C=O)OC
• IUPAC Name: 2,2-dimethoxyacetaldehyde
• InChIKey: OGFKTAMJLKHRAZ-UHFFFAOYSA-N
• INCHI: 1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
• Isómeros SMILES: COC(C=O)OC
• WGK Alemania: 3
• Peso molecular: 104.1
• Reaxy-Rn: 1850744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1850744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.414
• Punto de inflamación (°F): 216°F
• Punto de inflamación (°C): 102℃
• Punto de ebullición (°C): 100-102℃
• Peso molecular: 104.100 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.900
• 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