Cas no 111226-04-1 (2-Propanol, 1-(4-chlorophenoxy)-2-methyl-)

2-Propanol, 1-(4-chlorophenoxy)-2-methyl- is a versatile organic compound with notable solvating properties. It exhibits excellent compatibility with various organic solvents, making it suitable for a wide range of applications. This compound is characterized by its stability and low volatility, which contribute to its effectiveness in chemical reactions and processes. Its unique structure provides it with distinctive reactivity, making it a valuable intermediate in the synthesis of pharmaceuticals and fine chemicals.
2-Propanol, 1-(4-chlorophenoxy)-2-methyl- structure
111226-04-1 structure
Product Name:2-Propanol, 1-(4-chlorophenoxy)-2-methyl-
CAS No:111226-04-1
MF:C10H13ClO2
MW:200.662022352219
MDL:MFCD12765088
CID:1196691
PubChem ID:20138293
Update Time:2025-07-23

2-Propanol, 1-(4-chlorophenoxy)-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanol, 1-(4-chlorophenoxy)-2-methyl-
    • 1-(4-Chlorophenoxy)-2-methylpropan-2-ol
    • MFCD12765088
    • 111226-04-1
    • SCHEMBL10636671
    • MDL: MFCD12765088
    • Inchi: 1S/C10H13ClO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
    • InChI Key: MKUYGDFGCXQGDK-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)OCC(C)(C)O

Computed Properties

  • Exact Mass: 200.06049
  • Monoisotopic Mass: 200.06
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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
  • Topological Polar Surface Area: 29.5A^2
  • XLogP3: 2.5

Experimental Properties

  • PSA: 29.46

2-Propanol, 1-(4-chlorophenoxy)-2-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB276111-1 g
1-(4-Chlorophenoxy)-2-methylpropan-2-ol; .
111226-04-1
1g
€380.00 2022-09-01
abcr
AB276111-5 g
1-(4-Chlorophenoxy)-2-methylpropan-2-ol; .
111226-04-1
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€950.00 2022-09-01
abcr
AB276111-1g
1-(4-Chlorophenoxy)-2-methylpropan-2-ol; .
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€380.00 2025-04-22
abcr
AB276111-5g
1-(4-Chlorophenoxy)-2-methylpropan-2-ol; .
111226-04-1
5g
€950.00 2025-04-22

Additional information on 2-Propanol, 1-(4-chlorophenoxy)-2-methyl-

Introduction to 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- and Its Applications in Modern Chemical Biology

2-Propanol, 1-(4-chlorophenoxy)-2-methyl- (CAS No. 111226-04-1) is a specialized organic compound that has garnered significant attention in the field of chemical biology due to its unique structural and functional properties. This compound, characterized by a chlorophenoxy group and a methyl-substituted propanol backbone, exhibits a range of potential applications in pharmaceutical research, agrochemical development, and material science. Its molecular structure, featuring both hydrophobic and hydrophilic regions, makes it a versatile intermediate in synthetic chemistry, enabling the design of novel molecules with tailored biological activities.

The molecular structure of 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- can be described as a combination of an isopropyl alcohol moiety with a chlorinated phenyl ring linked via a phenoxy group. This configuration imparts distinct physicochemical properties, including moderate solubility in both polar and nonpolar solvents, which is crucial for its utility in various biochemical assays and drug delivery systems. The presence of the chlorophenoxy group also suggests potential interactions with biological targets such as enzymes and receptors, making this compound a valuable scaffold for medicinal chemists.

In recent years, the study of 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- has been influenced by advancements in computational chemistry and high-throughput screening techniques. These methodologies have enabled researchers to rapidly evaluate the compound's interactions with biological systems, leading to the identification of novel pharmacophores and lead compounds for therapeutic development. For instance, computational studies have suggested that the compound may exhibit inhibitory effects on certain enzymes involved in metabolic pathways relevant to inflammation and cancer progression.

One of the most promising applications of 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- lies in its potential use as an intermediate in the synthesis of bioactive molecules. The phenoxy group provides a versatile handle for further functionalization, allowing chemists to introduce additional substituents that enhance specific biological activities. Recent research has demonstrated its utility in the preparation of novel kinase inhibitors, which are critical for treating various forms of cancer. By modifying the substituents on the chlorophenoxy ring or incorporating other functional groups into the molecule, researchers can fine-tune the pharmacological properties of derivatives derived from this compound.

The agrochemical industry has also shown interest in 2-Propanol, 1-(4-chlorophenoxy)-2-methyl-, recognizing its potential as a precursor for developing new pesticides and herbicides. The structural features of this compound contribute to its ability to interact with biological targets in pests while maintaining low toxicity to non-target organisms. This balance is essential for creating environmentally sustainable agricultural solutions that protect crops without harming beneficial species or ecosystems.

From a material science perspective, 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- has been explored for its role in synthesizing advanced polymers and coatings. Its ability to form stable linkages with other monomers makes it a candidate for creating materials with enhanced durability and functionality. These applications are particularly relevant in industries requiring high-performance materials that can withstand harsh conditions or exhibit specific chemical properties.

The synthesis of 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- typically involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic techniques such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions have been employed to construct the desired molecular framework efficiently. The optimization of these synthetic routes is an ongoing area of research, with efforts focused on improving scalability and reducing environmental impact.

In conclusion, 2-Propanol, 1-(4-chlorophenoxy)-2-methyl- (CAS No. 111226-04-1) represents a fascinating compound with broad applications across multiple scientific disciplines. Its unique structural features enable it to serve as a versatile intermediate in pharmaceuticals, agrochemicals, and materials science. As research continues to uncover new methodologies for its synthesis and application, this compound is poised to play an increasingly important role in advancing chemical biology and related fields.

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