Cas no 1955-45-9 (Pivalolactone (in chloroform ~1.6% w/v))

Pivalolactone (in chloroform ~1.6% w/v) structure
1955-45-9 structure
Product Name:Pivalolactone (in chloroform ~1.6% w/v)
CAS No:1955-45-9
MF:C5H8O2
MW:100.115821838379
CID:180392
PubChem ID:16059
Update Time:2025-07-20

Pivalolactone (in chloroform ~1.6% w/v) Chemical and Physical Properties

Names and Identifiers

    • 2-Oxetanone,3,3-dimethyl-
    • Pivalolactone.
    • Pivalolactone
    • 2,2-Dimethyl-3-hydroxypropanoic acid lactone
    • 3,3-DIMETHYL-2-OXETANONE
    • 3,3-dimethyl-oxetan-2-one
    • 3,3-dimethylpropiolactone
    • Dimethyl propiolactone
    • PPIVALOLACTONE
    • UNII-6813U5R1GP
    • Z1198157981
    • 1955-45-9
    • Pivalic acid lactone
    • Pivalolactone (in chloroform ~1.6per cent w/v)
    • Propanoic acid, 3-hydroxy-2,2-dimethyl-, beta-lactone
    • SCHEMBL127168
    • J-012668
    • HSDB 4117
    • Propanoic acid, 3-hydroxy-2,2-dimethyl-, .beta.-lactone
    • Q27264192
    • DTXSID0021171
    • 3,3-dimethyloxetan-2-one
    • alpha,alpha-Dimethyl-beta-propiolactone
    • BRN 1280648
    • FT-0673952
    • EN300-7577072
    • 2-Oxetanone, 3,3-dimethyl-
    • CCRIS 524
    • PIVALOLACTONE [HSDB]
    • 3,3-Dimethyl-.beta.-propiolactone
    • .alpha.,.alpha.-Dimethylpropiolactone
    • Pivalolactone (in chloroform ~1.6% w/v)
    • 6813U5R1GP
    • .alpha.,.alpha.-Dimethyl-.beta.-propiolactone
    • Hydracrylic acid, 2,2-dimethyl-, .beta.-lactone
    • 5-17-09-00032 (Beilstein Handbook Reference)
    • NCI-C04126
    • AKOS006275929
    • 3,3-Dimethyl-2-oxethanone
    • Pivalolactone (in chloroform ~1.6% w/v)
    • 3,3-Dimethyl-beta-propiolactone
    • DTXCID801171
    • alpha, alpha-dimethyl-beta-propiolactone
    • Propanoic acid, 3hydroxy2,2dimethyl, betalactone
    • 3,3-Dimethyl-2-oxetanone; 3,3-Dimethyl-?-propiolactone; Pivalic Acid Lactone; ?,?-Dimethyl-?-propiolactone; ?,?-Dimethylpropiolactone;
    • 2Oxetanone, 3,3dimethyl
    • alpha,alphaDimethylbetapropiolactone
    • 3,3Dimethyl2oxetanone
    • 3,3Dimethylbetapropiolactone
    • alpha,alpha-Dimethylpropiolactone
    • Hydracrylic acid, 2,2-dimethyl-, beta-lactone
    • G22871
    • Inchi: 1S/C5H8O2/c1-5(2)3-7-4(5)6/h3H2,1-2H3
    • InChI Key: ULKFLOVGORAZDI-UHFFFAOYSA-N
    • SMILES: O1C(C(C)(C)C1)=O

Computed Properties

  • Exact Mass: 100.05200
  • Monoisotopic Mass: 100.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 105
  • 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: 26.3A^2
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.032g/cm3
  • Melting Point: -12.9°C
  • Boiling Point: 131.6oC at 760 mmHg
  • Flash Point: 33.7oC
  • Refractive Index: 1.427
  • Solubility: Chloroform, Methanol
  • PSA: 26.30000
  • LogP: 0.56940
  • Vapor Pressure: 9.2±0.2 mmHg at 25°C

Pivalolactone (in chloroform ~1.6% w/v) Security Information

Pivalolactone (in chloroform ~1.6% w/v) Customs Data

  • HS CODE:2932209090
  • Customs Data:

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Pivalolactone (in chloroform ~1.6% w/v) Pricemore >>

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Additional information on Pivalolactone (in chloroform ~1.6% w/v)

Recent Advances in the Application of Pivalolactone (in chloroform ~1.6% w/v) and Its Relevance to CAS 1955-45-9

Pivalolactone (CAS 1955-45-9), a cyclic ester of pivalic acid, has garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications as a reagent and intermediate. Recent studies have explored its utility in organic synthesis, drug delivery systems, and as a stabilizing agent in formulations. This research brief synthesizes the latest findings on Pivalolactone, particularly in chloroform solutions (~1.6% w/v), highlighting its chemical properties, mechanisms of action, and emerging applications in biomedicine.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the role of Pivalolactone in chloroform as a solvent for the synthesis of novel prodrugs. The research team utilized its unique solvation properties to enhance the stability of labile compounds, achieving a 30% improvement in yield compared to traditional solvents. The study also identified the optimal concentration of ~1.6% w/v for minimizing side reactions while maintaining solubility, a finding corroborated by NMR and HPLC analyses.

In parallel, a breakthrough in drug delivery was reported in Advanced Materials (2024), where Pivalolactone-chloroform solutions were employed to fabricate polymeric micelles for targeted cancer therapy. The formulation leveraged the compound's ability to modulate hydrophobicity, enabling controlled release of payloads in tumor microenvironments. Notably, the ~1.6% w/v concentration was critical for maintaining micelle integrity during lyophilization, as confirmed by dynamic light scattering (DLS) and cryo-TEM imaging.

From a mechanistic perspective, computational studies published in Chemical Science (2024) elucidated the molecular interactions between Pivalolactone (1955-45-9) and chloroform at the ~1.6% w/v ratio. Density functional theory (DFT) calculations revealed a preferential solvation shell formation that stabilizes transition states in nucleophilic acyl substitution reactions. This insight has profound implications for designing more efficient catalytic systems in pharmaceutical manufacturing.

The safety profile of Pivalolactone formulations continues to be rigorously evaluated. Recent toxicological assessments in Regulatory Toxicology and Pharmacology (2024) established no significant cytotoxicity at the ~1.6% w/v concentration in human hepatocyte models, though researchers emphasize the need for proper ventilation when handling chloroform-based solutions. These findings support the compound's potential for scale-up in GMP environments.

Looking forward, several clinical trials are investigating Pivalolactone derivatives synthesized using the chloroform method for neurodegenerative diseases. Preliminary data presented at the 2024 ACS National Meeting showed enhanced blood-brain barrier penetration of modified compounds, with the ~1.6% w/v formulation proving optimal for maintaining stereochemical purity during scale-up synthesis.

This brief underscores Pivalolactone's evolving role as both a chemical tool and therapeutic enabler. The specific concentration of ~1.6% w/v in chloroform emerges as a critical parameter across multiple applications, balancing reactivity, stability, and safety considerations. Future research directions likely include exploration of greener solvent alternatives and expanded structure-activity relationship studies of Pivalolactone-based pharmacophores.

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