Bromoacetaldehyde dimethyl acetal - 0.2% potassium carbonate as stabilizer, 97% , CAS No.7252-83-7

CAS: 7252-83-7 Cat. No.: B100820 Molecular Weight: 169.02 Beilstein Registry Number: 1280132 EC Number: 230-669-6

GRADE & PURITY 0.2% potassium carbonate as stabilizer, 97%

Synonyms

2-Bromo-1,1-dimethoxyethane, 97% | EINECS 230-669-6 | bromoacetaldehyde-dimethylacetal | AC-2029 | FT-0625125 | Q-101943 | 2-bromoacetaldehyde-dimethylacetal | InChI=1/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3 | SCHEMBL136821 | 2-bromo-1, 1bis(methyloxy)ethan

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

2-Bromo-1,1-dimethoxyethane (Bromoacetaldehyde dimethyl acetal) was used in the synthesis of 2,3-O-acetal via reaction with 2,3-diol in the presence of 10-camphorsulphonic acid (CSA). 2-bromo-1,1-dimethoxyethane was used to react with 4-hydroxylbenzaldehyde, and finally aldehyde substituted prodrug was generated by TFA-mediated deacetalization.

Specifications

Synonyms

2-Bromo-1, 1-dimethoxyethane, 97% | EINECS 230-669-6 | bromoacetaldehyde-dimethylacetal | AC-2029 | FT-0625125 | Q-101943 | 2-bromoacetaldehyde-dimethylacetal | InChI=1/C4H9BrO2/c1-6-4(3-5)7-2/h4H, 3H2, 1-2H3 | SCHEMBL136821 | 2-bromo-1, 1bis(methyloxy)ethan

Specifications & Purity

0.2% potassium carbonate as stabilizer, 97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488185993
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185993
• Canonical Smiles: COC(CBr)OC
• IUPAC Name: 2-bromo-1,1-dimethoxyethane
• InChIKey: FUSFWUFSEJXMRQ-UHFFFAOYSA-N
• INCHI: 1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
• Isomeric SMILES: COC(CBr)OC
• WGK Germany: 3
• UN Number: 1993
• Molecular Weight: 169.02
• Beilstein: 1280132
• Reaxy-Rn: 1280132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280132&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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Light ,air,moisture sensitive.
• Refractive Index: 1.445-1.447
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 53℃
• Boil Point(°C): 148-150°C
• Molecular Weight: 169.020 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.979 Da
• Monoisotopic Mass: 167.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 36.700
• 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