Trimethylsilyl Bromoacetate - ≥97%(GC) , CAS No.18291-80-0

CAS: 18291-80-0 Cat. No.: T161572 Peso molecular: 211.13 Beilstein Registry Number: 1927560 Número EC: 242-165-3 PubChem CID: 87554

GRADE & PURITY ≥97%(GC)

Synonyms

Bromoacetic acid, TMS derivative | LS-13081 | MFCD00000187 | Trimethylsilyl bromoacetate, 98% | Bromoacetic Acid Trimethylsilyl Ester | ZCHHFMWUDHXPFN-UHFFFAOYSA- | J-011704 | ZCHHFMWUDHXPFN-UHFFFAOYSA-N | AKOS015836012 | FT-0637672 | B1578 | EINECS 242-1

Storage

Room temperature

Shipped In

Normal

Descripción general

Trimethylsilyl bromoacetate has been used: ? in the preparation of new imidazolium salts functionalized with the trimethylsilyl ester group ? as alkylating agent in the synthesis of succinate fragment of pantocin B (antibiotic natural product) in the synthesis of taxol derivatives tethered at C2′ and C-7 to glutamate and folate

Specifications

Sinónimos

Bromoacetic acid, TMS derivative | LS-13081 | MFCD00000187 | Trimethylsilyl bromoacetate, 98% | Bromoacetic Acid Trimethylsilyl Ester | ZCHHFMWUDHXPFN-UHFFFAOYSA- | J-011704 | ZCHHFMWUDHXPFN-UHFFFAOYSA-N | AKOS015836012 | FT-0637672 | B1578 | EINECS 242-1

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: C[Si](C)(C)OC(=O)CBr
• IUPAC Name: trimethylsilyl 2-bromoacetate
• InChIKey: ZCHHFMWUDHXPFN-UHFFFAOYSA-N
• INCHI: 1S/C5H11BrO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3
• Isómeros SMILES: C[Si](C)(C)OC(=O)CBr
• WGK Alemania: 3
• PubChem CID: 87554
• Peso molecular: 211.13
• Beilstein: 1927560
• Reaxy-Rn: 1927560

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Trimethylsilyl esters
• Alternative Parents: Trialkylheterosilanes Alpha-halocarboxylic acid derivatives Carboxylic acid salts Organic metalloid salts Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trimethylsilyl ester - Alpha-halocarboxylic acid derivative - Trialkylheterosilane - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Organoheterosilane - Carboxylic acid derivative - Organic metalloid salt - Monocarboxylic acid or derivatives - Alkyl bromide - Organobromide - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trimethylsilyl esters. These are organoheterosilanes, bearing a silicon atom that is linked to three methyl groups and is O-esterified.
• 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: 1.44
• Punto de inflamación (°F): 116.6 °F
• Punto de inflamación (°C): 47 °C
• Punto de ebullición (°C): 83 °C/28 mmHg
• Peso molecular: 211.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 209.971 Da
• Monoisotopic Mass: 209.971 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 108.000
• 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

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