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

CAS: 51673-84-8 Cat. No.: D170733 分子式: (CH₃O)₂CHCHO 分子量: 104.1 EC番号: 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

概要

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

同義語

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

仕様と純度

60 wt. % in H2O

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 504757532
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504757532
• カノニカル・スマイル: 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
• 異性体SMILES: COC(C=O)OC
• WGKドイツ: 3
• 分子量: 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
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: air sensitive
• 屈折率: 1.414
• 引火点（°F）: 216°F
• 引火点（°C）: 102℃
• 沸点（°C）: 100-102℃
• 分子量: 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