7-Methoxy-2-naphthol - ≥98% , CAS No.5060-82-2

CAS: 5060-82-2 Cat. No.: M138924 Formula: CH₃OC₁₀H₆OH Molecular Weight: 174.2 Beilstein Registry Number: 2207279 EC Number: 629-282-9

GRADE & PURITY ≥98%

Synonyms

2-Methoxy-7-naphthol | SCHEMBL216905 | A828200 | AKOS001434501 | DTXSID80357408 | EN300-16482 | FT-0635526 | 7-(methyloxy)-2-naphthalenol | AM20040581 | DS-18565 | MFCD00075494 | 2-hydroxy-7-methoxynaphthalene | 7-Methoxy-2-naphthol | SY063965 | 2-Naphtha

Storage

Room temperature

Shipped In

Normal

Overview

It may be used in the synthesis of new 1H-benzo[f]chromene derivatives and used in the synthesis of 7-methoxy-2-naphthyl (MN)-derived xylosides in which the methoxy group served as a marker for NMR characterization and UV detection.

Specifications

Synonyms

2-Methoxy-7-naphthol | SCHEMBL216905 | A828200 | AKOS001434501 | DTXSID80357408 | EN300-16482 | FT-0635526 | 7-(methyloxy)-2-naphthalenol | AM20040581 | DS-18565 | MFCD00075494 | 2-hydroxy-7-methoxynaphthalene | 7-Methoxy-2-naphthol | SY063965 | 2-Naphtha

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

508810247

Canonical Smiles

COC1=CC2=C(C=CC(=C2)O)C=C1

IUPAC Name

7-methoxynaphthalen-2-ol

InChIKey

UNFNRIIETORURP-UHFFFAOYSA-N

INCHI

1S/C11H10O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h2-7,12H,1H3

Isomeric SMILES

COC1=CC2=C(C=CC(=C2)O)C=C1

WGK Germany

3

Molecular Weight

174.2

Beilstein

2207279

Reaxy-Rn

2207279

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207279&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• x_melt_point_char: 116-119°C
• Molecular Weight: 174.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068 Da
• Monoisotopic Mass: 174.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 169.000
• 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