3-[4-(2-Methoxyethyl)phenoxy]-1,2-epoxypropane - ≥98% , CAS No.56718-70-8

CAS: 56718-70-8 Cat. No.: M345759 Peso molecular: 208.25 Número EC: 260-353-3

GRADE & PURITY ≥98%

Synonyms

2-(4-(2'-methoxyethyl)phenoxymethyl)oxirane | 1-(2,3-epoxypropoxy)-4-(2-methoxyethyl)benzene | 1-[p-(2-methoxyethyl)-phenoxy]-2,3-epoxy-propane | J-505226 | 2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane | 4-(2-methoxyethyl)phenyl glycidyl ether | AB93233 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

3-[4-(2-Methoxyethyl)phenoxy]-1,2-epoxypropane is an impurity of Metoprolol.

Specifications

Sinónimos

2-(4-(2'-methoxyethyl)phenoxymethyl)oxirane | 1-(2, 3-epoxypropoxy)-4-(2-methoxyethyl)benzene | 1-[p-(2-methoxyethyl)-phenoxy]-2, 3-epoxy-propane | J-505226 | 2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane | 4-(2-methoxyethyl)phenyl glycidyl ether | AB93233 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COCCC1=CC=C(C=C1)OCC2CO2
• IUPAC Name: 2-[[4-(2-methoxyethyl)phenoxy]methyl]oxirane
• InChIKey: UEOWFGJMGUIGHC-UHFFFAOYSA-N
• INCHI: 1S/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3
• Isómeros SMILES: COCCC1=CC=C(C=C1)OCC2CO2
• Peso molecular: 208.25
• Reaxy-Rn: 641170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Tyrosols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tyrosols and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tyrosol derivative - Phenoxy compound - Phenol ether - Alkyl aryl ether - 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 tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Acetone, Chloroform, Dichloromethane, Ether and Ethyl Acetate,
• Peso molecular: 208.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.11 Da
• Monoisotopic Mass: 208.11 Da
• Topological Polar Surface Area: 31.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 176.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1