Cas no 110945-00-1 (2-chloro-1-4-(dimethylamino)phenylethan-1-one)

2-Chloro-1-[4-(dimethylamino)phenyl]ethan-1-one is a versatile organic compound featuring a chloroacetyl group attached to a dimethylamino-substituted phenyl ring. This structure imparts reactivity suitable for use as an intermediate in pharmaceutical and agrochemical synthesis, particularly in the preparation of heterocyclic compounds. Its electron-rich aromatic system enhances nucleophilic substitution potential, while the chloroacetyl moiety allows for further functionalization. The compound exhibits stability under standard handling conditions and is typically handled in controlled environments due to its reactivity. It is valued for its role in constructing complex molecular frameworks, making it a useful reagent in research and industrial applications.
2-chloro-1-4-(dimethylamino)phenylethan-1-one structure
110945-00-1 structure
Product Name:2-chloro-1-4-(dimethylamino)phenylethan-1-one
CAS No:110945-00-1
MF:C10H12ClNO
MW:197.661381721497
MDL:MFCD08059551
CID:221055
PubChem ID:145469
Update Time:2025-06-11

2-chloro-1-4-(dimethylamino)phenylethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2-chloro-1-[4-(dimethylamino)phenyl]-
    • Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI)
    • 2-chloro-1-[4-(dimethylamino)phenyl]ethanone
    • 2-CHLORO-4'-(DIMETHYLAMINO)ACETOPHENONE
    • 2-Chloro-1-(4-(dimethylamino)phenyl)ethanone
    • 2-chloro-1-4-(dimethylamino)phenylethan-1-one
    • 110945-00-1
    • MFCD08059551
    • EN300-1965212
    • Ethanone,2-chloro-1-[4-(dimethylamino)phenyl]-(9CI)
    • 2-Chloro-1-[4-(dimethylamino)phenyl]ethan-1-one
    • 2-chloro-1-(4-dimethylaminophenyl)ethanone
    • SCHEMBL4187495
    • AKOS022278649
    • Ethanone, 2-chloro-1-(4-(dimethylamino)phenyl)-
    • DTXSID20149425
    • 4-(N,N-Dimethylamino)phenacyl bromide
    • InChI=1/C10H12ClNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H
    • Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]-
    • DB-276520
    • 4-(N,N-Dimethylamino)phenacyl chloride
    • DTXCID0071916
    • MDL: MFCD08059551
    • Inchi: 1S/C10H12ClNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
    • InChI Key: ONHGPIBFTKDBHT-UHFFFAOYSA-N
    • SMILES: ClCC(C1C=CC(=CC=1)N(C)C)=O

Computed Properties

  • Exact Mass: 197.06086
  • Monoisotopic Mass: 197.0607417g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • PSA: 20.31

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2-chloro-1-4-(dimethylamino)phenylethan-1-one Suppliers

Amadis Chemical Company Limited
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(CAS:110945-00-1)2-chloro-1-4-(dimethylamino)phenylethan-1-one
Order Number:A1102620
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:35
Price ($):536.0

Additional information on 2-chloro-1-4-(dimethylamino)phenylethan-1-one

Introduction to 2-Chloro-1-(4-(Dimethylamino)phenyl)ethan-1-one (CAS No. 110945-00-1)

2-Chloro-1-(4-(dimethylamino)phenyl)ethan-1-one, also known by its CAS number 110945-00-1, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound is characterized by its unique structure, which includes a chloro-substituted ethanone moiety and a dimethylamino group attached to a phenyl ring. The combination of these functional groups imparts distinct chemical and physical properties, making it a valuable intermediate in various synthetic processes.

The chloro-substituted ethanone moiety in 2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-one is particularly noteworthy due to its reactivity and versatility. This functional group can undergo a variety of chemical transformations, such as nucleophilic substitution reactions, which are crucial in the synthesis of more complex molecules. Additionally, the presence of the dimethylamino group on the phenyl ring enhances the compound's basicity and polarity, which can influence its solubility and reactivity in different solvents.

Recent research has highlighted the potential applications of 2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-one in the development of novel pharmaceuticals. For instance, studies have shown that this compound can serve as a key intermediate in the synthesis of drugs targeting specific biological pathways. One notable example is its use in the preparation of compounds with anti-inflammatory and analgesic properties. The ability to fine-tune the structure of these derivatives through strategic modifications has opened up new avenues for drug discovery and development.

In the realm of materials science, 2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-one has also demonstrated promising properties. Its unique combination of functional groups makes it suitable for use in the synthesis of advanced materials with tailored optical and electronic characteristics. For example, researchers have explored its potential as a building block for organic semiconductors and luminescent materials. These materials have applications in areas such as organic light-emitting diodes (OLEDs) and photovoltaic devices.

The synthesis of 2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-one typically involves multi-step processes that require precise control over reaction conditions. Common synthetic routes include the condensation of 4-dimethylaminobenzaldehyde with chloroacetyl chloride followed by subsequent purification steps. Advances in catalytic methods have further optimized these processes, leading to higher yields and improved product purity.

From a safety perspective, it is important to handle 2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-one with care due to its reactivity and potential health effects. Proper personal protective equipment (PPE), such as gloves and goggles, should be worn during handling, and work should be conducted in well-ventilated areas or fume hoods to minimize exposure risks.

In conclusion, 2-chloro-1-(4-(dimethylamino)phenyl)ethan-1-one (CAS No. 110945-00-1) is a multifaceted compound with a wide range of applications in medicinal chemistry and materials science. Its unique structural features make it an invaluable intermediate in various synthetic processes, contributing to advancements in drug discovery, material development, and beyond. As research continues to uncover new possibilities for this compound, its importance in the scientific community is likely to grow even further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:110945-00-1)2-chloro-1-4-(dimethylamino)phenylethan-1-one
A1102620
Purity:99%
Quantity:1g
Price ($):536.0
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