7-metoxi-2-naftol - ≥98% , CAS No.5060-82-2

CAS: 5060-82-2 Cat. No.: M138924 Fórmula: CH₃OC₁₀H₆OH Peso molecular: 174.2 Beilstein Registry Number: 2207279 Número CE: 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

Visão geral

Pode ser utilizado na síntese de novos derivados do 1H-benzo[f]cromeno e utilizado na síntese de xilosídeos derivados do 7-metoxi-2-naftil (MN) em que o grupo metoxi serviu de marcador para a caraterização por RMN e deteção de UV.

Specifications

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508810247

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

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
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 116-119°C
• Peso molecular: 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