7-Methoxy-1-tetralone - ≥99% , CAS No.6836-19-7

CAS: 6836-19-7 Cat. No.: M119779 Peso molecular: 176.21 Beilstein Registry Number: 2208389 Número EC: 229-916-0

GRADE & PURITY ≥99%

Synonyms

7-methoxy-3,4-dihydro-2H-naphthalen-1-one | 7-methoxytetralone | 7-methoxy-tetralone | HY-W001925 | 7-methoxy-1,2,3,4-tetrahydro-1-naphthalenone | 7-methoxyl-1-tetralone | M2092 | BCP33967 | DG-0040 | NSC 97611 | 7-methoxy-1-tetraione | DTXSID30218494 | 6

Storage

Room temperature

Shipped In

Normal

Descripción general

Application

7-methoxy-1-tetralone was used in the synthesis of 2,7-dimethoxy-1-tetralone, substituted derivatives of 3a,4,5,6-tetrahydrosuccinimido[3,4-b]acenaphthen-10-one and 13H-benzo[6-7]indolo[3,2-c]quinolines.

Specifications

Sinónimos

7-methoxy-3, 4-dihydro-2H-naphthalen-1-one | 7-methoxytetralone | 7-methoxy-tetralone | HY-W001925 | 7-methoxy-1, 2, 3, 4-tetrahydro-1-naphthalenone | 7-methoxyl-1-tetralone | M2092 | BCP33967 | DG-0040 | NSC 97611 | 7-methoxy-1-tetraione | DTXSID30218494 | 6

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488185944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185944
• Sonrisas canónicas: COC1=CC2=C(CCCC2=O)C=C1
• IUPAC Name: 7-methoxy-3,4-dihydro-2H-naphthalen-1-one
• InChIKey: GABLTKRIYDNDIN-UHFFFAOYSA-N
• INCHI: 1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
• Isómeros SMILES: COC1=CC2=C(CCCC2=O)C=C1
• WGK Alemania: 3
• Peso molecular: 176.21
• Beilstein: 2208389
• Reaxy-Rn: 2208389
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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)

HepG2 (196354 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 60-64°C
• Peso molecular: 176.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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