Cas no 115840-37-4 (2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one)

2-Chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is a specialized organic compound featuring a morpholine core substituted with methyl groups at the 2- and 6-positions, coupled with a chloroacetone moiety. This structure imparts reactivity suitable for applications in pharmaceutical intermediates or agrochemical synthesis, where selective functionalization is required. The presence of the chloro and carbonyl groups enhances its utility as an electrophile in nucleophilic substitution or condensation reactions. The 2,6-dimethylmorpholine component contributes steric and electronic effects, potentially improving selectivity in synthetic pathways. Its well-defined molecular architecture ensures consistent performance in controlled reactions, making it a valuable reagent for targeted organic synthesis.
2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one structure
115840-37-4 structure
Product Name:2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CAS No:115840-37-4
MF:C9H16ClNO2
MW:205.681841850281
CID:130950
PubChem ID:5052392
Update Time:2025-10-31

2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,2-chloro-1-(2,6-dimethyl-4-morpholinyl)-
    • 2-Chloro-1-(2,6-dimethyl-4-morpholinyl)-1-propanone
    • Morpholine, 4-(2-chloro-1-oxopropyl)-2,6-dimethyl- (9CI)
    • 2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
    • AKOS000264053
    • 115840-37-4
    • Z56921815
    • EN300-05755
    • 2-Chloro-1-(2,6-dimethylmorpholino)propan-1-one
    • AKOS017268999
    • CS-0220100
    • Inchi: 1S/C9H16ClNO2/c1-6-4-11(5-7(2)13-6)9(12)8(3)10/h6-8H,4-5H2,1-3H3
    • InChI Key: CQXVMOSWWGTUHF-UHFFFAOYSA-N
    • SMILES: ClC(C)C(N1CC(C)OC(C)C1)=O

Computed Properties

  • Exact Mass: 205.08708
  • Monoisotopic Mass: 205.087
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 1.2

Experimental Properties

  • PSA: 29.54

2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one Pricemore >>

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Additional information on 2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-Chloro-1-(2,6-Dimethylmorpholin-4-yl)Propan-1-one: A Comprehensive Overview

The compound 2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one, identified by the CAS number CAS No. 115840-37-4, is a significant organic intermediate with diverse applications in the chemical and pharmaceutical industries. This compound has garnered attention due to its unique structural properties and potential for use in drug design and synthesis.

Recent studies have highlighted the importance of morpholine derivatives like 2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one in medicinal chemistry. Morpholine rings are known for their ability to form hydrogen bonds, making them valuable in creating bioactive molecules with improved pharmacokinetic profiles. The substitution pattern in this compound—specifically the presence of a chlorine atom and methyl groups—contributes to its stability and reactivity, making it a versatile building block in organic synthesis.

The physical and chemical properties of CAS No. 115840-37-4 have been extensively characterized, revealing its high melting point and moderate solubility in organic solvents. These properties make it suitable for use in various synthetic reactions, including nucleophilic substitutions and condensations, which are critical steps in the development of complex molecular architectures.

In terms of synthesis, researchers have explored multiple pathways to prepare 2-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one. One common approach involves the reaction of morpholine derivatives with chlorinating agents under controlled conditions to achieve the desired substitution pattern. This method has been optimized to ensure high yields and purity, making it scalable for industrial applications.

The application of CAS No. 115840-37-4 extends beyond traditional organic synthesis into specialized areas such as agrochemicals and materials science. For instance, its ability to act as a chelating agent has been leveraged in the development of novel catalysts for enantioselective reactions, enhancing the efficiency of asymmetric synthesis processes.

Recent advancements in computational chemistry have further elucidated the electronic structure of 2-chloro..., providing insights into its reactivity and selectivity in different reaction environments. These findings have paved the way for more precise predictions of its behavior in complex reaction systems.

In conclusion, CAS No... remains a pivotal compound in contemporary chemical research due to its structural versatility and functional diversity. As ongoing studies continue to uncover new applications and optimize its synthesis pathways, this compound is poised to play an increasingly important role in advancing both academic and industrial endeavors.

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