4′-Hydroxy-3′-iodoacetophenone - ≥97% , CAS No.62615-24-1

CAS: 62615-24-1 Cat. No.: H469466 Summenformel: C₈H₇IO₂ Molekulargewicht: 262.04 EG-Nummer: 687-274-0

GRADE & PURITY ≥97%

Synonyms

2-Iodo-4-acetylphenol | SJRAJHOOMLHHQN-UHFFFAOYSA-N | 1-(4-hydroxy-3-iodophenyl)ethanone | 1-(4-hydroxy-3-iodo-phenyl)-ethanone | 1-(4-hydroxy-3-iodophenyl)ethan-1-one | SCHEMBL1644004 | 4'-Hydroxy-3'-iodoacetophenone, 97% | 4-hydroxy-3-iodo acetophenone

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Übersicht

Description

Reactant for:Preparation of cyclopentene fused benzofurans and indoles via Pd-catalyzed tandem ring opening-ring closing reaction with diazabicyclic alkenesHighly regioselective synthesis of spirocyclic compounds by a palladium-catalyzed intermolecular tandem reactionRegioselective synthesis of indene derivatives via Pd/C-catalyzed cyclization reaction in airPreparation of carbazoles via cross-coupling with silylaryl triflates followed by palladium-catalyzed cyclizationStereoselective preparation of heteropolycyclic compounds via palladium-catalyzed stereoselective heteroannulation of with cyclic alkenesPreparation of disubstituted coumarins via palladium-catalyzed carbonylative annulation of internal alkynesPreparation of arylalkynes, benzofurans and indoles via Sonogashira coupling and cyclization on alumina

Specifications

Synonyme

2-Iodo-4-acetylphenol | SJRAJHOOMLHHQN-UHFFFAOYSA-N | 1-(4-hydroxy-3-iodophenyl)ethanone | 1-(4-hydroxy-3-iodo-phenyl)-ethanone | 1-(4-hydroxy-3-iodophenyl)ethan-1-one | SCHEMBL1644004 | 4'-Hydroxy-3'-iodoacetophenone, 97% | 4-hydroxy-3-iodo acetophenone

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528759372
• Kanonisches Lächeln: CC(=O)C1=CC(=C(C=C1)O)I
• IUPAC Name: 1-(4-hydroxy-3-iodophenyl)ethanone
• InChIKey: SJRAJHOOMLHHQN-UHFFFAOYSA-N
• INCHI: 1S/C8H7IO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
• Isomere SMILES: CC(=O)C1=CC(=C(C=C1)O)I
• WGK Deutschland: 1
• Molekulargewicht: 262.04
• Reaxy-Rn: 2962439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2962439&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones O-iodophenols Benzoyl derivatives Aryl alkyl ketones Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - 2-halophenol - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 262.040 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.949 Da
• Monoisotopic Mass: 261.949 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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