(R)-(+)-Óxido de estireno - ≥97%,≥97%(ee) , CAS No.20780-53-4

CAS: 20780-53-4 Cat. No.: I133271 Fórmula: C₈H₈O Peso molecular: 120.15 Beilstein Registry Number: 1984 Número EC: 606-637-6

GRADE & PURITY ≥97%,≥97%(ee)

Synonyms

(R)-(+)-Styrene oxide, 98% | Benzene, (epoxyethyl)-, (R)-(-)- | Oxirane, 2-phenyl-, (2R)- | S0516 | SMR000471848 | (+)-(R)-STYRENE OXIDE | Q27095270 | (R)-Phenylethylene oxide | R-STYRENE OXIDE | (+)-PHENYLOXIRANE | (2R)-2-phenyloxirane | BIDD:ER0688 | Z1

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Se utiliza para producir un epóxido homologado como parte de una aproximación sintética a la (+)-alosedamina.

Aplicación：

Se utiliza para producir un epóxido homologado como parte de una aproximación sintética a la (+)-alosedamina.

se puede utilizar óxido de (R)-(+)-estireno:

Como iniciador quiral en la síntesis de 5-pirimidil-alcanol a partir de su correspondiente aldehído utilizando diisopropilzinc.

Como sustrato en la O-alquilación intermolecular estereoselectiva de fenoles con epóxidos mediante una reacción de tipo Friedel-Crafts.

Como sustrato en las reacciones de apertura en anillo de epóxidos con alcoholes, ácidos carboxílicos y tioles utilizando el catalizador AlPW12O40.

Specifications

Sinónimos

(R)-(+)-Styrene oxide, 98% | Benzene, (epoxyethyl)-, (R)-(-)- | Oxirane, 2-phenyl-, (2R)- | S0516 | SMR000471848 | (+)-(R)-STYRENE OXIDE | Q27095270 | (R)-Phenylethylene oxide | R-STYRENE OXIDE | (+)-PHENYLOXIRANE | (2R)-2-phenyloxirane | BIDD:ER0688 | Z1

Especificaciones y pureza

≥97%,≥97%(ee)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%,≥97%(ee)

Nombres e identificadores

Pubchem Sid

504756720

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756720

Sonrisas canónicas

C1C(O1)C2=CC=CC=C2

IUPAC Name

(2R)-2-phenyloxirane

InChIKey

AWMVMTVKBNGEAK-QMMMGPOBSA-N

INCHI

1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1

Isómeros SMILES

C1[C@H](O1)C2=CC=CC=C2

WGK Alemania

3

RTECS

CZ9625010

Peso molecular

120.15

Beilstein

1984

Reaxy-Rn

108582

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108582&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: styrene oxide

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.54
• Rotación específica [α]: 33° (neat)
• Punto de inflamación (°F): 176 °F
• Punto de inflamación (°C): 80 °C
• Punto de ebullición (°C): 194 °C
• Peso molecular: 120.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.058 Da
• Monoisotopic Mass: 120.058 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20780-53-4, the molecular formula is C8H8O, and the molecular weight is 120.15 g/mol. InChIKey AWMVMTVKBNGEAK-QMMMGPOBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.