3'-Aminoacetophenon - ≥97% , CAS No.99-03-6

CAS: 99-03-6 Cat. No.: A107200 Summenformel: C₈H₉NO Molekulargewicht: 135.16 Beilstein Registry Number: 386009 EG-Nummer: 202-722-3

GRADE & PURITY ≥97%

Synonyms

3 inverted exclamation mark -Aminoacetophenone | 3-amino acetophenone | 3-Aminoacetofenon | BDBM50546257 | 3 inverted exclamation marka-Aminoacetophenone | 3-aminoacetophenon | H366ULD45X | STR02986 | Ethanone, 1-(3-aminophenyl)- | Q27453668 | m-Aminoacet

Storage

Room temperature

Shipped In

Normal

Übersicht

Produkt-Beschreibung：

3′-Aminoacetophenon wirkt als bifunktionelles Kopplungsreagenz bei der Synthese von Pyrimidinen.
3′-Aminoacetophenon (3-Acetylanilin) wurde als Reagenz bei der asymmetrischen Totalsynthese von Pactamycin verwendet und diente als Ausgangsreagenz bei der Synthese von Curcumin-Mimikern mit substituierter Sulfonylgruppe.

Specifications

Synonyme

3 inverted exclamation mark -Aminoacetophenone | 3-amino acetophenone | 3-Aminoacetofenon | BDBM50546257 | 3 inverted exclamation marka-Aminoacetophenone | 3-aminoacetophenon | H366ULD45X | STR02986 | Ethanone, 1-(3-aminophenyl)- | Q27453668 | m-Aminoacet

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488180418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180418
• Kanonisches Lächeln: CC(=O)C1=CC(=CC=C1)N
• IUPAC Name: 1-(3-aminophenyl)ethanone
• InChIKey: CKQHAYFOPRIUOM-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
• Isomere SMILES: CC(=O)C1=CC(=CC=C1)N
• WGK Deutschland: 2
• RTECS: AM5800000
• Molekulargewicht: 135.16
• Beilstein: 386009
• Reaxy-Rn: 386009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386009&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 Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aniline or substituted anilines - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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

Zugehörige Ziele (menschlich)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

PPIB Tchem Cyclophilin B (53 Activities)

Discover Target: PPIB

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

PPIA Tclin Cyclophilin A (674 Activities)

Discover Target: PPIA

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Practically insoluble; Soluble in Ether,Alcohol
• Siedepunkt (°C): 289-290°C
• Schmelzpunkt (°C): 94-98°C
• Molekulargewicht: 135.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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

Referenzen

1. Wenguang Wang, Yanqiu Zhang, Xiaobin Yang, Haixiang Sun, Yadong Wu, Lu Shao.  (2022)  Monovalent Cation Exchange Membranes with Janus Charged Structure for Ion Separation.  Engineering,      [PMID:] [10.1016/j.eng.2021.09.020]

2. Heng Tang, Tian-Tian Guo, Jin-xing Zhong, Ze-Yu Wu, Xiao-Yu Duan, Yu-Ze Sun, Ya-Ping Xue, Yu-Guo Zheng.  (2026)  Biocatalytic Bamberger Rearrangement for the Synthesis of 3-Amino-2-hydroxyacetophenone via Hydroxylaminobenzene Mutase Engineering and Multi-Enzyme System Assembly.  Biotechnology Journal,  21  (4): (e70225).  [PMID:42003450] [10.1002/biot.70225]