2-Acetoxyisobutyryl bromide - ≥96% , CAS No.40635-67-4

CAS: 40635-67-4 Cat. No.: A138810 Peso molecular: 209.04 Beilstein Registry Number: 2432585 Número EC: 629-266-1

GRADE & PURITY ≥96%

Synonyms

SCHEMBL317990 | A825208 | JC10156 | MFCD00040923 | alpha-Acetoxyisobutyryl bromide | 2-Acetoxy-2-methylpropionyl bromide | 2-Acetoxyisobutyrylbromide | FT-0622106 | (2-bromo-1,1-dimethyl-2-oxo-ethyl) acetate | OOKAXSHFTDPZHP-UHFFFAOYSA-N | 2-Acetoxyisobut

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

1-Bromocarbonyl-1-methylethyl acetate (α-Acetoxyisobutyryl bromide) participates in the conversion of adenosine to trans-3′(2′)-bromo-2′(3′)-acetates, via glycosyl cleavage.
1-Bromocarbonyl-1-methylethyl acetate (α-Acetoxyisobutyryl bromide) may be used: in the chemoenzymatic synthesis of (1R,2S)-1,2-epoxy-1,2-dihydroacridine (acridine 1,2-oxide) in the synthesis of protected 3′-deoxyadenosine and 3′-deoxyguanosine as reagent for deoxygenation of vicinal diols, as well as in the preparation of 2′,3′-dideoxycytidine and other dideoxy and deoxynucleosides from the corresponding ribo series.

Specifications

Sinónimos

SCHEMBL317990 | A825208 | JC10156 | MFCD00040923 | alpha-Acetoxyisobutyryl bromide | 2-Acetoxy-2-methylpropionyl bromide | 2-Acetoxyisobutyrylbromide | FT-0622106 | (2-bromo-1, 1-dimethyl-2-oxo-ethyl) acetate | OOKAXSHFTDPZHP-UHFFFAOYSA-N | 2-Acetoxyisobut

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OC(C)(C)C(=O)Br
• IUPAC Name: (1-bromo-2-methyl-1-oxopropan-2-yl) acetate
• InChIKey: OOKAXSHFTDPZHP-UHFFFAOYSA-N
• INCHI: 1S/C6H9BrO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
• Isómeros SMILES: CC(=O)OC(C)(C)C(=O)Br
• WGK Alemania: 1
• Peso molecular: 209.04
• Beilstein: 2432585
• Reaxy-Rn: 2432585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2432585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Acyl bromides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Acyl halide - Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.457
• Punto de inflamación (°F): 230℉
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 75-77 °C
• Peso molecular: 209.040 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.974 Da
• Monoisotopic Mass: 207.974 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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