Bromoacetaldehyde diethyl acetal - ≥93% , CAS No.2032-35-1

CAS: 2032-35-1 Cat. No.: B106904 Molecular Weight: 197.07 Beilstein Registry Number: 635754 EC Number: 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

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

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

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

Specifications & Purity

≥93%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥93%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCOC(CBr)OCC
• WGK Germany: 3
• UN Number: 1992
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: It is immiscible with water.
• Sensitivity: Moisture & heat & light sensitive
• Refractive Index: 1.4376
• Flash Point(°F): 149 °F
• Flash Point(°C): 51°C
• Boil Point(°C): 67 °C/18 mmHg
• Molecular Weight: 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