Cas no 116422-39-0 ((2S)-2-Methoxy-1-propanol)

(2S)-2-Methoxy-1-propanol structure
(2S)-2-Methoxy-1-propanol structure
Product Name:(2S)-2-Methoxy-1-propanol
CAS No:116422-39-0
MF:C4H10O2
MW:90.1210017204285
MDL:MFCD01632593
CID:157998
PubChem ID:642402
Update Time:2025-07-19

(2S)-2-Methoxy-1-propanol Chemical and Physical Properties

Names and Identifiers

    • 1-Propanol, 2-methoxy-,(2S)-
    • (S)-(+)-1-METHOXY-2-PROPANOL
    • (+)-(S)-2-methoxy-propanol
    • (2S)-2-METHOXY-1-PROPANOL
    • (S)-2-methoxy-1-propanol
    • (S)-2-methoxypropan-1-ol
    • (S)-2-methoxy-propan-1-ol
    • (S)-2-methoxypropanol
    • AC1LD4XJ
    • AG-D-37843
    • Ambcb4031352
    • CTK4A9790
    • FT-0696246
    • (S)-(+)-2-METHOXYPROPANOL
    • (S)-2-HYDROXY-1-METHOXYPROPANE
    • (S)-(+)-PROPYLENE GLYCOL 1-METHYL ETHER
    • (2S)-2-methoxy-1-propanol(SALTDATA: FREE)
    • (S)-(+)-2-Methoxypropanol,99%
    • (S)-(+)-2-Methoxypropanol, 99% 1ML
    • 2-(S)-methoxy-propanol
    • Q27264062
    • CS-0096324
    • A803617
    • (2S)-2-methoxypropan-1-ol
    • 6725GR28FG
    • 116422-39-0
    • 1-Propanol, 2-methoxy-, (S)-
    • AKOS024262600
    • 1-Propanol,2-methoxy-,(2S)-
    • YTTFFPATQICAQN-BYPYZUCNSA-N
    • MFCD01632593
    • PS-18863
    • 2-(S)-Methoxypropan-1-ol
    • 2-(5-INDOLE)BENZOICACID
    • UNII-6725GR28FG
    • EN300-7145149
    • 2-Methoxy-1-propanol, (2S)-
    • 1-Propanol, 2-methoxy-, (2S)-
    • DB-353622
    • (2S)-2-Methoxy-1-propanol
    • MDL: MFCD01632593
    • Inchi: 1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
    • InChI Key: YTTFFPATQICAQN-BYPYZUCNSA-N
    • SMILES: O(C)[C@@H](C)CO

Computed Properties

  • Exact Mass: 90.0681
  • Monoisotopic Mass: 90.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 28.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.2
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.938
  • Melting Point: -84.2°C (estimate)
  • Boiling Point: 118 °C
  • Flash Point: 33 °C
  • Refractive Index: n20/D 1.403
  • PSA: 29.46
  • Solubility: Not available

(2S)-2-Methoxy-1-propanol Security Information

  • Hazardous Material transportation number:UN 3092 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10
  • Safety Instruction: 16
  • Risk Phrases:R10
  • Safety Term:S16

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Additional information on (2S)-2-Methoxy-1-propanol

Chemical Profile of (2S)-2-Methoxy-1-propanol (CAS No. 116422-39-0)

CAS No. 116422-39-0 refers to a specific enantiomer of (2S)-2-Methoxy-1-propanol, a chiral alcohol with significant applications in the pharmaceutical and chemical industries. This compound, characterized by its stereochemical configuration, has garnered attention due to its role as a key intermediate in the synthesis of various bioactive molecules. The precise stereochemistry of this alcohol is critical, as it influences the pharmacological properties of the final drug candidates.

The (2S)-2-Methoxy-1-propanol molecule is a secondary alcohol with a methoxy group at the second carbon position, making it a versatile building block for organic synthesis. Its enantiomeric purity is of paramount importance, especially in pharmaceutical applications where the (S)-configuration often dictates the biological activity. The synthesis of this compound typically involves chiral resolution or asymmetric synthesis methods, ensuring high enantiomeric excess for optimal performance in downstream processes.

In recent years, advancements in catalytic asymmetric synthesis have enabled more efficient and scalable production of (2S)-2-Methoxy-1-propanol. These methods often leverage transition metal catalysts, such as rhodium or palladium complexes, to achieve high yields and enantiomeric purity with minimal byproducts. Such innovations have made it feasible to produce this compound on an industrial scale, meeting the demands of pharmaceutical manufacturers.

One of the most compelling applications of (2S)-2-Methoxy-1-propanol is in the development of central nervous system (CNS) therapeutics. Its structural motif is found in several drug candidates that target neurological disorders. For instance, derivatives of this compound have shown promise in preclinical studies as potential treatments for neurodegenerative diseases such as Alzheimer's and Parkinson's. The ability to fine-tune the pharmacophore by modifying the (2S)-2-Methoxy-1-propanol core has opened new avenues for drug discovery.

Moreover, the compound has found utility in the synthesis of protease inhibitors, which are crucial for treating infectious diseases and cancer. The methoxy group in (2S)-2-Methoxy-1-propanol facilitates the formation of hydrogen bonds and hydrophobic interactions, making it an effective scaffold for designing molecules that interact with biological targets. Recent studies have highlighted its role in developing novel antiviral agents, where its chiral center enhances binding affinity to viral proteases.

The pharmaceutical industry has also explored (2S)-2-Methoxy-1-propanol as a precursor for nonsteroidal anti-inflammatory drugs (NSAIDs). By incorporating this alcohol into drug molecules, researchers can modulate their solubility, bioavailability, and metabolic stability. This has led to the development of next-generation NSAIDs with improved efficacy and reduced side effects. The growing body of literature underscores its importance as a key intermediate in medicinal chemistry.

Beyond pharmaceuticals, (2S)-2-Methoxy-1-propanol has applications in agrochemicals and specialty chemicals. Its chiral nature makes it valuable for synthesizing enantiomerically pure compounds used as pesticides or herbicides. These derivatives often exhibit higher selectivity toward target pests while minimizing environmental impact. The compound's versatility underscores its significance across multiple industries.

Recent research has also delved into the use of (2S)-2-Methoxy-1-propanol in green chemistry initiatives. Its biodegradability and low toxicity make it an attractive alternative to traditional solvents and intermediates. Researchers are exploring its use in sustainable synthetic pathways that reduce waste and energy consumption. Such efforts align with global trends toward environmentally friendly chemical processes.

The analytical characterization of (2S)-2-Methoxy-1-propanol is another critical aspect of its study. Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and chromatography are routinely employed to confirm its identity and purity. Advanced computational methods, including molecular modeling and quantum chemistry calculations, further aid in understanding its reactivity and interactions with biological targets.

In conclusion, (2S)-2-Methoxy-1-propanol (CAS No. 116422-39-0) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and specialty chemicals. Its unique stereochemistry and functional groups make it indispensable in drug discovery and synthetic chemistry. As research continues to uncover new uses for this compound, its importance is likely to grow further, driving innovation across multiple scientific disciplines.

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