2-(2-Bromoethyl)-1,3-dioxane - ≥98% , CAS No.33884-43-4

CAS: 33884-43-4 Cat. No.: B113749 Formule: C₆H₁₁BrO₂ Poids moléculaire: 195.05 Beilstein Registry Number: 1421628 Numéro CE: 251-716-7

GRADE & PURITY ≥98%

Synonyms

3-Bromopropionaldehyde trimethylene acetal | 1,3-Dioxane, 2-(2-bromoethyl)-; 2-(2-bromoethyl)-3-dioxane;3-Bromopropionaldehyde trimethylene acetal | AKOS015836230 | 2-(2-Bromoethyl)-1,3-dioxane, 98% | FT-0608433 | WMDHQEHPOVOEOG-UHFFFAOYSA- | MFCD00006567

Storage

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

Shipped In

Wet ice

Vue d’ensemble

application：

2-(2-Bromoethyl)-1,3-dioxane was used in the synthesis of ketone adducts 2-[3-oxo-4(S)-(triphenylmethyl) amino-6-methylheptyl]-1,3-dioxane and 2-[3-oxo-4(S)-(triphenylmethyl)amino-6-methylheptyl]-1,3-dioxolane.

Specifications

Synonymes

3-Bromopropionaldehyde trimethylene acetal | 1,3-Dioxane, 2-(2-bromoethyl)-; 2-(2-bromoethyl)-3-dioxane;3-Bromopropionaldehyde trimethylene acetal | AKOS015836230 | 2-(2-Bromoethyl)-1,3-dioxane, 98% | FT-0608433 | WMDHQEHPOVOEOG-UHFFFAOYSA- | MFCD00006567

Spécifications et pureté

≥98%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508807858

Sourires canoniques

C1COC(OC1)CCBr

IUPAC Name

2-(2-bromoethyl)-1,3-dioxane

InChIKey

WMDHQEHPOVOEOG-UHFFFAOYSA-N

INCHI

1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2

Isomères SMILES

C1COC(OC1)CCBr

WGK Allemagne

3

Poids moléculaire

195.05

Beilstein

1421628

Reaxy-Rn

1421628

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dioxanes
• Subclass: 1,3-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxanes
• Alternative Parents: Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

Propriétés chimiques et physiques

• Solubilité: ethanol: soluble 50 (μg/mL)
• Sensibilité: Light Sensitive；Air Sensitive；Heat sensitive
• Indice de réfraction: 1.481
• Point d'éclair (°F): 206.6 °F
• Point d'éclair (°C): 96°C
• Point d'ébullition (°C): 67-70°C
• Poids moléculaire: 195.050 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.994 Da
• Monoisotopic Mass: 193.994 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 71.500
• 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