Cas no 102522-48-5 (N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester)

N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester is a specialized organic compound featuring a carbamate ester structure with multiple hydroxyl groups. Its molecular design offers enhanced solubility in polar solvents, making it suitable for applications requiring controlled reactivity or as an intermediate in synthetic chemistry. The presence of hydroxymethyl groups contributes to its stability and potential for further functionalization. This compound is particularly valuable in pharmaceutical and polymer research, where its bifunctional nature allows for precise modifications. Its well-defined structure ensures reproducibility in reactions, while its purity and consistency make it a reliable choice for advanced chemical synthesis.
N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester structure
102522-48-5 structure
Product Name:N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester
CAS No:102522-48-5
MF:C12H17NO5
MW:255.267083883286
CID:1059181
PubChem ID:90027526
Update Time:2025-08-05

N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester Chemical and Physical Properties

Names and Identifiers

    • N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamic Acid Benzyl Ester
    • [2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamic acid phenylmethyl ester
    • Carbamic acid, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-, phenylmethyl ester
    • DB-320725
    • Cbz-Tris
    • 102522-48-5
    • Phenylmethyl N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamate
    • BENZYL N-[1,3-DIHYDROXY-2-(HYDROXYMETHYL)PROPAN-2-YL]CARBAMATE
    • N-Carboxybenzyl Tromethamine
    • CEA52248
    • DTXSID001174531
    • EN300-7262145
    • Benzyl (1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamate
    • A1-04804
    • SCHEMBL15552484
    • N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester
    • Inchi: 1S/C12H17NO5/c14-7-12(8-15,9-16)13-11(17)18-6-10-4-2-1-3-5-10/h1-5,14-16H,6-9H2,(H,13,17)
    • InChI Key: MCMNTNJMDVMJQE-UHFFFAOYSA-N
    • SMILES: OCC(CO)(CO)NC(=O)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 255.11067264g/mol
  • Monoisotopic Mass: 255.11067264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 241
  • 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
  • XLogP3: -0.7
  • Topological Polar Surface Area: 99?2

Experimental Properties

  • Density: 1.321±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 178-180 oC
  • Boiling Point: 520.6±50.0 °C at 760 mmHg
  • Flash Point: 268.6±30.1 °C
  • Solubility: Slightly soluble (9.4 g/l) (25 o C),
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

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Additional information on N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester

Introduction to N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester (CAS No. 102522-48-5)

N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester, identified by its CAS number 102522-48-5, is a compound of significant interest in the field of pharmaceutical chemistry and biochemistry. This compound, characterized by its unique structural features, has garnered attention for its potential applications in drug development and molecular research. The presence of multiple hydroxyl groups and a carbamate ester moiety makes it a versatile intermediate in synthetic chemistry, particularly in the synthesis of more complex molecules.

The< strong>N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester structure is composed of a phenylmethyl ester group attached to a hydroxymethyl-substituted carbamate backbone. This configuration imparts distinct chemical properties that make it valuable in various biochemical pathways and reactions. The hydroxyl groups, for instance, can participate in hydrogen bonding interactions, which are crucial for the design of enzyme inhibitors and other bioactive molecules. Meanwhile, the carbamate group serves as a versatile handle for further functionalization, allowing chemists to tailor the compound for specific applications.

In recent years, there has been growing interest in the development of novel carbamate-based compounds due to their broad spectrum of biological activities. Research has shown that carbamates can act as potent inhibitors of various enzymes and have applications in treating inflammatory diseases, neurological disorders, and even cancer. The< strong>N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester, with its unique structural motifs, is being explored as a potential lead compound in these areas.

One of the most compelling aspects of this compound is its role as a building block in medicinal chemistry. The phenylmethyl ester group can be easily modified through various chemical reactions, such as hydrolysis or transesterification, to introduce different functional groups. This flexibility allows researchers to design molecules with tailored properties for specific biological targets. For example, modifications to the phenyl ring can alter the electronic properties of the molecule, influencing its binding affinity to biological receptors.

The< strong>N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester has also been investigated for its potential use in materials science. The presence of multiple hydroxyl groups makes it an excellent candidate for polymerization reactions, leading to the formation of hydrogels and other functional materials. These materials have applications in drug delivery systems, where controlled release mechanisms are essential for therapeutic efficacy.

Recent studies have highlighted the importance of understanding the mechanistic aspects of carbamate-based compounds. Researchers have been focusing on elucidating how these molecules interact with biological targets at the molecular level. This knowledge is crucial for designing more effective drugs with improved pharmacokinetic profiles. The< strong>N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester has been used as a model compound in several computational studies to understand its binding modes and interactions with enzymes.

The synthesis of< strong>N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester involves several key steps that showcase modern synthetic methodologies. The process typically starts with the preparation of a hydroxymethylethyl carbamate intermediate, which is then coupled with phenylmethyl halides or other suitable electrophiles to form the desired ester. Advanced techniques such as transition metal-catalyzed cross-coupling reactions have been employed to improve yields and reduce reaction times.

In conclusion, the< strong>N-2-Hydroxy-1,1-bis(hydroxymethyl)ethylcarbamic Acid Phenylmethyl Ester (CAS No. 102522-48-5) represents a fascinating compound with diverse applications in pharmaceuticals and materials science. Its unique structural features make it a valuable tool for researchers exploring new drug candidates and functional materials. As our understanding of molecular interactions continues to evolve, compounds like this are poised to play a critical role in advancing scientific discovery.

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