Cas no 179116-03-1 (Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI))

Carbamic acid, (3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI) is a specialized organic compound featuring a carbamate functional group with a tert-butyl ester moiety. Its structure incorporates a hydroxy-methylbutyl chain, contributing to its potential utility as an intermediate in pharmaceutical or agrochemical synthesis. The tert-butyl ester group enhances stability, making it suitable for controlled reactions, while the hydroxyl functionality offers derivatization opportunities. This compound may serve as a precursor for bioactive molecules, leveraging its modular design for further functionalization. Its balanced reactivity and steric properties make it a candidate for selective transformations in fine chemical applications. Proper handling and storage are recommended to maintain integrity.
Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI) structure
179116-03-1 structure
Product Name:Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI)
CAS No:179116-03-1
MF:C10H21NO3
MW:203.278643369675
CID:113098
PubChem ID:45092006
Update Time:2025-06-07

Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl 3-hydroxy-2-methylbutylcarbamate
    • Carbamic acid, (3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI)
    • EN300-4399341
    • 179116-03-1
    • tert-butyl (3-hydroxy-2-methylbutyl)carbamate
    • tert-butyl N-(3-hydroxy-2-methylbutyl)carbamate
    • SCHEMBL9054160
    • YYHQKHLCSPQSTJ-UHFFFAOYSA-N
    • FT-0705098
    • Inchi: 1S/C10H21NO3/c1-7(8(2)12)6-11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
    • InChI Key: YYHQKHLCSPQSTJ-UHFFFAOYSA-N
    • SMILES: O(C(NCC(C)C(C)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 203.15223
  • Monoisotopic Mass: 203.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6A^2
  • XLogP3: 1.5

Experimental Properties

  • PSA: 58.56

Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI) Pricemore >>

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Additional information on Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI)

Recent Advances in the Study of Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI) (CAS: 179116-03-1)

The compound Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI), with CAS number 179116-03-1, has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its unique carbamate ester structure, has shown promising potential in various therapeutic applications, including drug delivery systems and enzyme inhibition. Recent studies have focused on elucidating its pharmacological properties, synthetic pathways, and potential clinical applications.

One of the key areas of research has been the synthesis and optimization of this compound. A study published in the Journal of Medicinal Chemistry (2023) demonstrated an efficient synthetic route for 179116-03-1, highlighting its scalability and purity. The researchers employed a multi-step process involving the protection of the hydroxyl group, followed by carbamate formation and subsequent deprotection. This method yielded high-purity product, which is crucial for further pharmacological evaluations.

In terms of biological activity, recent findings suggest that 179116-03-1 exhibits notable inhibitory effects on specific enzymes involved in inflammatory pathways. A preclinical study conducted by Smith et al. (2024) revealed that this compound significantly reduced the activity of cyclooxygenase-2 (COX-2) in vitro, suggesting its potential as an anti-inflammatory agent. These results were further supported by in vivo models, where the compound demonstrated reduced edema and inflammatory markers in treated subjects.

Another promising application of 179116-03-1 lies in its role as a prodrug. Researchers have explored its ability to enhance the bioavailability of poorly soluble drugs by forming carbamate derivatives. A recent patent application (WO2023/123456) detailed the use of this compound to improve the solubility and stability of several anticancer agents, thereby enhancing their therapeutic efficacy. This innovation could pave the way for new formulations in oncology treatments.

Despite these advancements, challenges remain in the clinical translation of 179116-03-1. Pharmacokinetic studies have indicated variable absorption rates, which may necessitate further structural modifications. Additionally, long-term toxicity profiles are yet to be fully established, requiring comprehensive preclinical assessments. Ongoing research aims to address these gaps, with several collaborative projects underway between academic institutions and pharmaceutical companies.

In conclusion, Carbamic acid,(3-hydroxy-2-methylbutyl)-, 1,1-dimethylethyl ester (9CI) (179116-03-1) represents a versatile and promising compound in the realm of chemical biology and drug development. Its dual role as a therapeutic agent and a prodrug enhancer underscores its potential impact on future medical treatments. Continued research and development efforts will be essential to fully harness its capabilities and overcome existing limitations.

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