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

CAS: 56718-71-9 Cat. No.: M136398 分子式: C₉H₁₂O₂ 分子量: 152.19 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488186707
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186707
• カノニカル・スマイル: 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
• 異性体SMILES: COCCC1=CC=C(C=C1)O
• WGKドイツ: 3
• 分子量: 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
    • 分類 Phenols
      • Subclass Tyrosols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 125 °C/3 mmHg
• 融点（°C）: 42 °C
• 分子量: 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