Cas no 188877-26-1 (1-PROPANOL, 2,3-DIMETHOXY-, METHANESULFONATE)

1-Propanol, 2,3-dimethoxy-, methanesulfonate is a specialized organic compound featuring a methanesulfonate ester group attached to a dimethoxy-substituted propanol backbone. This structure imparts reactivity suitable for use as an intermediate in organic synthesis, particularly in the preparation of more complex molecules. The methanesulfonate group enhances its utility as a leaving group in nucleophilic substitution reactions, while the dimethoxy substitution offers steric and electronic modulation for selective transformations. Its well-defined reactivity profile makes it valuable in pharmaceutical and fine chemical applications, where controlled functionalization is critical. The compound is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its potential irritant properties.
1-PROPANOL, 2,3-DIMETHOXY-, METHANESULFONATE structure
188877-26-1 structure
Product Name:1-PROPANOL, 2,3-DIMETHOXY-, METHANESULFONATE
CAS No:188877-26-1
MF:C6H14O5S
MW:198.237361431122
MDL:MFCD30345038
CID:3207896
PubChem ID:22127183
Update Time:2025-05-22

1-PROPANOL, 2,3-DIMETHOXY-, METHANESULFONATE Chemical and Physical Properties

Names and Identifiers

    • 1-PROPANOL, 2,3-DIMETHOXY-, METHANESULFONATE
    • 1-Propanol, 2,3-dimethoxy-, 1-methanesulfonate
    • SCHEMBL6041706
    • 188877-26-1
    • 2,3-dimethoxypropyl methanesulfonate
    • C6H14O5S
    • EN300-307683
    • 2,3-dimethoxypropylmethanesulfonate
    • G55065
    • MDL: MFCD30345038
    • Inchi: 1S/C6H14O5S/c1-9-4-6(10-2)5-11-12(3,7)8/h6H,4-5H2,1-3H3
    • InChI Key: KIQXAOUPZXQXEB-UHFFFAOYSA-N
    • SMILES: C(OS(C)(=O)=O)C(OC)COC

Computed Properties

  • Exact Mass: 198.05619472Da
  • Monoisotopic Mass: 198.05619472Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 192
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 70.2?2

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Additional information on 1-PROPANOL, 2,3-DIMETHOXY-, METHANESULFONATE

1-Propanol, 2,3-Dimethoxy-, Methanesulfonate (CAS No. 188877-26-1): A Comprehensive Overview

Introduction to 1-Propanol, 2,3-Dimethoxy-, Methanesulfonate

1-Propanol, 2,3-dimethoxy-, methanesulfonate, also identified by the CAS registry number 188877-26-1, is a highly specialized organic compound with significant applications in various scientific and industrial domains. This compound is a derivative of methanesulfonic acid, which is widely recognized for its unique chemical properties and versatility in organic synthesis. The structure of 1-propyl methanesulfonate with dimethoxy substituents at the 2 and 3 positions introduces specific reactivity and functionality that make it an essential intermediate in the synthesis of advanced materials and pharmaceuticals.

Chemical Structure and Properties

The molecular structure of 1-propyl methanesulfonate with dimethoxy groups is characterized by a central propane chain where the first carbon is attached to a methanesulfonyl group (SO?CH?), while the second and third carbons bear methoxy groups (OCH?). This configuration imparts distinct electronic and steric properties to the molecule, influencing its reactivity in various chemical reactions. The compound exhibits a high degree of stability under standard conditions due to the electron-withdrawing nature of the sulfonyl group and the electron-donating effects of the methoxy substituents.

Recent advancements in computational chemistry have enabled researchers to model the electronic distribution and reactivity of methanesulfonates with greater precision. Studies utilizing density functional theory (DFT) have revealed that the dimethoxy substitution pattern enhances the molecule's ability to act as an electrophilic agent in nucleophilic substitution reactions, making it highly valuable in organic synthesis.

Synthesis and Applications

The synthesis of 1-propyl methanesulfonate with dimethoxy groups typically involves multi-step processes that include alkylation, oxidation, and protection/deprotection strategies. Recent research has focused on optimizing these processes to improve yield and reduce environmental impact. For instance, green chemistry approaches such as using microwave-assisted synthesis or catalytic systems have been employed to streamline production.

In terms of applications, this compound serves as a key intermediate in the preparation of advanced polymers, pharmaceutical agents, and agrochemicals. Its role as an electrophilic reagent in nucleophilic substitution reactions has been pivotal in constructing complex molecular architectures required for drug discovery programs targeting various therapeutic areas such as oncology and infectious diseases.

Moreover, methanesulfonates like this compound are increasingly being explored for their potential in materials science. Recent studies have demonstrated their utility in synthesizing novel polymeric materials with tailored mechanical and thermal properties.

Safety Considerations and Regulatory Compliance

While handling methanesulfonates, it is crucial to adhere to standard safety protocols due to their potential irritant properties. Proper personal protective equipment (PPE) should be used during synthesis and manipulation to minimize exposure risks.

From a regulatory perspective, compounds like 1-propyl methanesulfonate with dimethoxy groups are subject to various international chemical management frameworks aimed at ensuring safe handling and disposal practices throughout their lifecycle.

Conclusion: The Future Outlook for CAS No. 188877-26-1

The compound 1-propyl methanesulfonate with dimethoxy groups (CAS No. 188877-26-1) stands at the forefront of modern organic chemistry due to its unique properties and diverse applications across multiple industries. As research continues to uncover new synthetic pathways and applications for this compound, its role in advancing scientific innovation is expected to grow significantly.

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