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

CAS: 3470-50-6 Cat. No.: H156890 Peso molecular: 162.19 Número 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194957
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194957
• Sonrisas canónicas: 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
• Isómeros SMILES: C1CC2=C(C=CC(=C2)O)C(=O)C1
• WGK Alemania: 3
• Peso molecular: 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
    • 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 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
• 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)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 155 °C
• Peso molecular: 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

Referencias

1. Yaqiong Zhang, Xu Xu, Lei Zhang.  (2022)  Capsulation of red emission chromophore into the CoZn ZIF as nanozymes for on-site visual cascade detection of phosphate ions, o-phenylenediamine, and benzaldehyde.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36191718] [10.1016/j.scitotenv.2022.159091]

2. Longbin Xu, Xu He, Pinyi Ma, Xin Liu, Fangmei Zhang, Ying Sun, Daqian Song, Xinghua Wang.  (2018)  A water-soluble fluorescent probe for the sensitive detection of endogenous alkaline phosphatase in living cells.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2018.07.023]

3. Yaqiong Zhang, Junping Lv, Qin Zhou, Kaile Chu, Min Li, Yayuan Li, Jie An, Zhifang Wu, Sijin Li.  (2025)  A two-emitting dye-embedded fluorescent sensor based on zirconium MOF for effective detection of fluoride.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41033094] [10.1016/j.saa.2025.126949]