Cas no 104333-00-8 (3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol)

3-((2-Nitro-4-(trifluoromethyl)phenyl)amino)propane-1,2-diol is a nitroaromatic compound featuring a trifluoromethyl substituent and a diol-functionalized side chain. Its unique structure combines electron-withdrawing groups (nitro and trifluoromethyl) with a flexible propane-1,2-diol moiety, making it a versatile intermediate in organic synthesis and pharmaceutical research. The presence of the trifluoromethyl group enhances lipophilicity and metabolic stability, while the diol group offers reactivity for further derivatization. This compound is particularly valuable in the development of bioactive molecules, agrochemicals, and materials science due to its balanced polarity and functional group compatibility. Its well-defined reactivity profile allows for selective modifications under controlled conditions.
3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol structure
104333-00-8 structure
Product Name:3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol
CAS No:104333-00-8
MF:C10H11F3N2O4
MW:280.200553178787
MDL:MFCD00270761
CID:126163
Update Time:2026-05-14

3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 3-((2-Nitro-4-(Trifluoromethyl)phenyl)amino)propane-1,2-diol
    • 1,2-Propanediol,3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-
    • 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol
    • AC1NUYL1
    • ANW-62235
    • CTK8B9227
    • HC Yellow 6
    • HC Yellow no. 6
    • SureCN108993
    • UNII-C3I439FV6T
    • 1,2-Propanediol, 3-2-nitro-4-(trifluoromethyl)phenylamino-
    • MDL: MFCD00270761
    • Inchi: InChI=1S/C10H11F3N2O4/c11-10(12,13)6-1-2-8(9(3-6)15(18)19)14-4-7(17)5-16/h1-3,7,14,16-17H,4-5H2
    • InChI Key: XDHQHBSDKYPJRG-UHFFFAOYSA-N
    • SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCC(CO)O

Computed Properties

  • Exact Mass: 280.06713
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6

Experimental Properties

  • PSA: 95.63

3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol Security Information

  • Hazard Category Code: 22-52/53
  • Safety Instruction: 22-61
  • Hazardous Material Identification: Xn
  • Risk Phrases:R22

3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol Pricemore >>

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Additional information on 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol

Introduction to 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol and Its Significance in Modern Chemical Research

Chemical compounds play a pivotal role in the advancement of pharmaceuticals and biotechnology. Among these, 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol, with the CAS number 104333-00-8, has emerged as a compound of significant interest due to its unique structural properties and potential applications. This introduction aims to provide a comprehensive overview of this compound, highlighting its chemical characteristics, recent research findings, and future prospects in the field of medicinal chemistry.

The molecular structure of 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol is characterized by a combination of aromatic and aliphatic moieties, which contribute to its diverse chemical reactivity. The presence of a nitro group at the 2-position of the phenyl ring and a trifluoromethyl group at the 4-position introduces electron-withdrawing effects that can influence the compound's interactions with biological targets. Additionally, the amine functional group and the diol moiety provide opportunities for further derivatization and functionalization, making it a versatile scaffold for drug design.

In recent years, there has been growing interest in exploring the pharmacological potential of compounds containing nitro and trifluoromethyl substituents. These groups are known to enhance metabolic stability and binding affinity, which are crucial factors in drug development. The nitro group, in particular, can be reduced to an amine under specific conditions, leading to the formation of new pharmacophores. This redox chemistry has been exploited in various therapeutic contexts, including antimicrobial and anticancer applications.

Recent studies have demonstrated that derivatives of 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol exhibit promising biological activities. For instance, modifications of the phenyl ring have been shown to influence receptor binding affinity and selectivity. Researchers have also explored the use of computational methods to predict the binding modes of these compounds with target proteins. These efforts have led to the identification of novel lead structures with enhanced pharmacological profiles.

The diol moiety in 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol offers additional opportunities for chemical manipulation. Diols are commonly found in natural products and have been shown to participate in various biochemical pathways. The ability to modify both hydroxyl groups allows for the creation of chiral centers, which can be critical for achieving enantiopurity in pharmaceuticals. This aspect has been particularly relevant in the development of stereoselective drugs that exhibit improved efficacy and reduced side effects.

The trifluoromethyl group is another key feature that contributes to the unique properties of this compound. Trifluoromethyl groups are widely used in medicinal chemistry due to their ability to enhance lipophilicity and metabolic stability. They also play a role in modulating electronic properties, which can influence drug-receptor interactions. The combination of a trifluoromethyl group with a nitro group provides a rich structural framework for designing compounds with tailored pharmacokinetic profiles.

In conclusion, 3-((2-Nitro-4-(trifluoromethyl)-phenyl)amino)propane-1,2-diol represents a fascinating compound with significant potential in pharmaceutical research. Its unique structural features offer opportunities for diverse chemical modifications and functionalizations, making it a valuable scaffold for drug discovery. Recent advancements in computational chemistry and biopharmaceutical research continue to shed light on its pharmacological properties and applications. As our understanding of this compound grows, so too does its promise as a building block for innovative therapeutic agents.

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