4-(2-Methoxyethyl)phenol - ≥98%(GC) , CAS No.56718-71-9

CAS: 56718-71-9 Cat. No.: M136398 Fórmula: C₉H₁₂O₂ Peso molecular: 152.19 Número EC: 260-354-9

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS000120544 | 4-(2-methoxy ethyl)phenol | METOPROLOL SUCCINATE IMPURITY B [EP IMPURITY] | SCHEMBL303516 | W-105505 | M1167 | 1H-1,4-Diazepine, 1-acetylhexahydro- | 2-[(tert-butyldimethylsilyl)oxy]acetaldehyde | 4-(2'Methoxyethyl)Phenol | 4-(2'-METHOXYET

Storage

Room temperature

Shipped In

Normal

Descripción general

It can be prepared by reacting methyl vinyl ether and 4-bromonitrobenzene.
It may be used in the preparation of methyl analog of metoprolol (MAM).

Specifications

Sinónimos

AKOS000120544 | 4-(2-methoxy ethyl)phenol | METOPROLOL SUCCINATE IMPURITY B [EP IMPURITY] | SCHEMBL303516 | W-105505 | M1167 | 1H-1,4-Diazepine, 1-acetylhexahydro- | 2-[(tert-butyldimethylsilyl)oxy]acetaldehyde | 4-(2'Methoxyethyl)Phenol | 4-(2'-METHOXYET

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488186707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186707
• Sonrisas canónicas: COCCC1=CC=C(C=C1)O
• IUPAC Name: 4-(2-methoxyethyl)phenol
• InChIKey: FAYGEALAEQKPDI-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3
• Isómeros SMILES: COCCC1=CC=C(C=C1)O
• WGK Alemania: 3
• Peso molecular: 152.19
• Reaxy-Rn: 2554433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2554433&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: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosol derivative - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic 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

Objetivos asociados (humanos)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 125 °C/3 mmHg
• Punto de fusión (°C): 42 °C
• Peso molecular: 152.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.700
• 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

Referencias

1. Han Wu, Ying Jiang, Wenjing Hu, Sijing Feng, Jiusheng Li.  (2023)  Effect of Mesogenic Phase and Structure of Liquid Crystals on Tribological Properties as Lubricant Additives.  Coatings,  13  (1): (168).  [PMID:] [10.3390/coatings13010168]

2. Sui-Qin Yang, Rui-Qiu Ye, Yu-Hong Cui, Zheng-Qian Liu, Kai Sun, Yu-Ze Yu.  (2024)  Transformation of metoprolol in UV/PDS process: Role and mechanisms of degradation and polymerization.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38733782] [10.1016/j.jhazmat.2024.134498]