6-Hydroxy-1-tetralone - ≥98% , CAS No.3470-50-6

CAS: 3470-50-6 Cat. No.: H156890 Formula: C₁₀H₁₀O₂ Peso molecolare: 162.19 Numero EC: 623-619-3

GRADE & PURITY ≥98%

Synonyms

AM20040236 | FT-0648908 | MB00784 | 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone | 6-hydroxy tetralone | AKOS005258189 | J-019722 | BDBM50017515 | STL555185 | Z877546758 | DTXSID30405488 | 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, 98% | AC-1123 | EN300-5885

Storage

Room temperature

Shipped In

Normal

Panoramica

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone (6-Hydroxy-1-tetralone) can be prepared by the demethylation of 6-methoxy-3,4-dihydro-1(2H)-naphthalenone. It participates in the synthesis of 2-alkylamino-6-hydroxy-5-hydroxymethyl-1,2,3,4-tetrahydro-1-naphthalenols. Its pKa value has been reported to be 7.74.
6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone (6-Hydroxy-1-tetralone) may be used in the synthesis of: . 5-chloromethyl-6-hydroxy-3,4-dihydro-1(2H)-naphthalenone. . 6-(4-(3-(piperidin-1-yl)propoxy)benzyloxy)-1-tetralone. . 6-(3-(piperidin-1-yl)propoxy)-1-tetralone.

Specifications

Sinonimi

AM20040236 | FT-0648908 | MB00784 | 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone | 6-hydroxy tetralone | AKOS005258189 | J-019722 | BDBM50017515 | STL555185 | Z877546758 | DTXSID30405488 | 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, 98% | AC-1123 | EN300-5885

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488194957

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194957

Sorrisi canonici

C1CC2=C(C=CC(=C2)O)C(=O)C1

IUPAC Name

6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

InChIKey

FNSQPQKPPGALFA-UHFFFAOYSA-N

INCHI

1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2

Isomeri SMILES

C1CC2=C(C=CC(=C2)O)C(=O)C1

WGK Germania

3

Peso molecolare

162.19

Reaxy-Rn

2043992

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043992&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

PRKCI Tchem Protein kinase C iota (2821 Activities)

Discover Target: PRKCI

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 155 °C
• Peso molecolare: 162.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3470-50-6, the molecular formula is C10H10O2, and the molecular weight is 162.19 g/mol. InChIKey FNSQPQKPPGALFA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.