6-Methoxy-1,2,3,4-tetrahydronaphthalene - ≥98%(GC) , CAS No.1730-48-9

CAS: 1730-48-9 Cat. No.: M157892 Molecular Weight: 162.23 Beilstein Registry Number: 6(2)537 EC Number: 217-049-0

GRADE & PURITY ≥98%(GC)

Synonyms

Devol garnet GB salt | METHOXYTETRALINE, BETA- | 3,6-Dichloro-o-anisic acid, compound with dimethylamine (1:1) | Q27275948 | (+)-Muscarine (chloride) | 5,6,7,8-tetrahydro-2-naphthol methyl ether | Naphthalene,2,3,4-tetrahydro-6-methoxy- | NSC 28470 | 7-me

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Devol garnet GB salt | METHOXYTETRALINE, BETA- | 3, 6-Dichloro-o-anisic acid, compound with dimethylamine (1:1) | Q27275948 | (+)-Muscarine (chloride) | 5, 6, 7, 8-tetrahydro-2-naphthol methyl ether | Naphthalene, 2, 3, 4-tetrahydro-6-methoxy- | NSC 28470 | 7-me

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184921
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184921
• Canonical Smiles: COC1=CC2=C(CCCC2)C=C1
• IUPAC Name: 6-methoxy-1,2,3,4-tetrahydronaphthalene
• InChIKey: SUFDFKRJYKNTFH-UHFFFAOYSA-N
• INCHI: 1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3
• Isomeric SMILES: COC1=CC2=C(CCCC2)C=C1
• Molecular Weight: 162.23
• Beilstein: 6(2)537
• Reaxy-Rn: 1942793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Anisole - 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 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.54
• Boil Point(°C): 131°C/11mmHg(lit.)
• Molecular Weight: 162.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.104 Da
• Monoisotopic Mass: 162.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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

References

1. Qifeng Yang, Yiming Mo.  (2023)  Direct Electrochemical Oxidation of Benzylic C–H Bond by La2O3@C/CP Composite Electrode with Water as the Green Oxygen Source.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c02229]