Bromoacétaldéhyde diéthyle acétal - ≥93% , CAS No.2032-35-1

CAS: 2032-35-1 Cat. No.: B106904 Formule: C₆H₁₃BrO₂ Poids moléculaire: 197.07 Beilstein Registry Number: 635754 Numéro CE: 217-989-1

GRADE & PURITY ≥93%

Synonyms

2,4,5-T-2-methylpropyl ester | Bromoacetaldehyde diethyl acetal, 97% | MFCD00063252 | STL146634 | (2-bromo-1-ethoxyethoxy)ethane | Bromoacetaldehyde diethylacetal | bromo-acetaldehyde diethyl-acetal | Q15726047 | 2-bromo-1,1-bis(ethyloxy)ethane | 1,1-Diet

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

Bromoacetaldehyde diethyl acetal reacts with anhydrous trimethylamine to form glycine betaine aldehyde. It reacts with different thiophenols in the presence of KOH/Cu to produce the corresponding ketone and diethyl acetals.
May darken in storage.
Application
Bromoacetaldehyde diethyl acetal has been used in the synthesis of monomer 2-(2,2-dimethoxy)ethoxyethyl vinyl ether. It has been used as synthetic building block.

Specifications

Synonymes

2,4,5-T-2-methylpropyl ester | Bromoacetaldehyde diethyl acetal, 97% | MFCD00063252 | STL146634 | (2-bromo-1-ethoxyethoxy)ethane | Bromoacetaldehyde diethylacetal | bromo-acetaldehyde diethyl-acetal | Q15726047 | 2-bromo-1,1-bis(ethyloxy)ethane | 1,1-Diet

Spécifications et pureté

≥93%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥93%

Noms et identifiants

• Pubchem Sid: 508814526
• Sourires canoniques: CCOC(CBr)OCC
• IUPAC Name: 2-bromo-1,1-diethoxyethane
• InChIKey: LILXDMFJXYAKMK-UHFFFAOYSA-N
• INCHI: 1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
• Isomères SMILES: CCOC(CBr)OCC
• WGK Allemagne: 3
• Numéro ONU: 1992
• Poids moléculaire: 197.07
• Beilstein: 635754
• Reaxy-Rn: 635754
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635754&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: It is immiscible with water.
• Sensibilité: Moisture & heat & light sensitive
• Indice de réfraction: 1.4376
• Point d'éclair (°F): 149 °F
• Point d'éclair (°C): 51°C
• Point d'ébullition (°C): 67 °C/18 mmHg
• Poids moléculaire: 197.070 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 196.01 Da
• Monoisotopic Mass: 196.01 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 53.000
• 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