1'-Hydroxy-2'-acetonaphthone - ≥98% , CAS No.711-79-5

CAS: 711-79-5 Cat. No.: H156991 分子式: C₁₂H₁₀O₂ 分子量: 186.21 Beilstein Registry Number: 8(4)1175 EC番号: 211-918-8

GRADE & PURITY ≥98%

Synonyms

A837107 | D70322 | FT-0607920 | methyl (1-hydroxy-2-naphthyl) ketone | VS-03495 | EINECS 211-918-8 | DTXSID4061044 | H0935 | 2-Aceto-1-naphthol | NSC-4973 | 1-(1-Hydroxy-2-naphthyl) Ethanone | 1-Hydroxy-2-acetylnaphthalene | 1'-HYDROXY-2-ACETONAPTHONE | 1

Storage

Room temperature

Shipped In

Normal

概要

General description：

The modulation of different photophysical properties of 1′-hydroxy-2′-acetonaphthone (HAN), after encapsulating into the hydrophobic nanocavities of various bile salt aggregates, was studied.

Application：

2-acetyl-1-naphthol and 1-acetyl-2-naphthol with triphosgene gave naphtho[1,2-e]-1,3-oxazines, naphtho[2,1-e]-1,3-oxazines or their spiro dimers depending on the molar ratio of triphosgene used for the cyclization.

Specifications

同義語

A837107 | D70322 | FT-0607920 | methyl (1-hydroxy-2-naphthyl) ketone | VS-03495 | EINECS 211-918-8 | DTXSID4061044 | H0935 | 2-Aceto-1-naphthol | NSC-4973 | 1-(1-Hydroxy-2-naphthyl) Ethanone | 1-Hydroxy-2-acetylnaphthalene | 1'-HYDROXY-2-ACETONAPTHONE | 1

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488184397

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184397

カノニカル・スマイル

CC(=O)C1=C(C2=CC=CC=C2C=C1)O

IUPAC Name

1-(1-hydroxynaphthalen-2-yl)ethanone

InChIKey

JBGJVMVWYWUVOW-UHFFFAOYSA-N

INCHI

1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3

異性体SMILES

CC(=O)C1=C(C2=CC=CC=C2C=C1)O

WGKドイツ

3

分子量

186.21

Beilstein

8(4)1175

Reaxy-Rn

1868084

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Acetophenones Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - Acetophenone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 98-100°C
• 分子量: 186.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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