Cas no 3333-23-1 (1-Naphthalenecarboxylic acid, 3,4-dihydro-)

1-Naphthalenecarboxylic acid, 3,4-dihydro-, is a partially hydrogenated derivative of naphthalenecarboxylic acid, featuring a saturated 3,4-dihydro-naphthalene ring system. This structural modification enhances its stability and alters its reactivity compared to the fully aromatic parent compound. The product is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its partially reduced ring system offers selective functionalization sites, making it valuable for constructing complex molecular frameworks. The compound exhibits improved solubility in certain solvents due to its reduced aromaticity, facilitating its use in diverse synthetic applications. Careful handling is recommended due to potential sensitivity to oxidation.
1-Naphthalenecarboxylic acid, 3,4-dihydro- structure
3333-23-1 structure
Product Name:1-Naphthalenecarboxylic acid, 3,4-dihydro-
CAS No:3333-23-1
MF:C11H10O2
MW:174.195903301239
CID:2663755
PubChem ID:582377
Update Time:2025-05-19

1-Naphthalenecarboxylic acid, 3,4-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 3,4-dihydronaphthalene-1-carboxylic acid
    • 3,4-Dihydro-.alpha.-naphthoic acid
    • SCHEMBL8119477
    • 3,4-Dihydro-1-naphthalenecarboxylic acid #
    • DTXSID60342493
    • AT23527
    • 3333-23-1
    • 1-Naphthalenecarboxylic acid, 3,4-dihydro-
    • 3,4-Dihydro-1-naphthalenecarboxylic acid, AldrichCPR
    • 3,4-DIHYDRO-1-NAPHTHOICACID
    • DTXCID20293573
    • 3,4-Dihydro-alpha-naphthoic acid
    • Inchi： 1S/C11H10O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6-7H,3,5H2,(H,12,13)
    • InChI Key： JNPFDSPGHQBUPF-UHFFFAOYSA-N
    • SMILES： OC(C1=CCCC2C=CC=CC=21)=O

Computed Properties

  • Exact Mass: 174.068079557g/mol
  • Monoisotopic Mass: 174.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 243
  • 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: 2.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.0844 (rough estimate)
  • Melting Point: 125°C
  • Boiling Point: 306°C (estimate)
  • Refractive Index: 1.5520 (estimate)

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1-Naphthalenecarboxylic acid, 3,4-dihydro- Related Literature

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Additional information on 1-Naphthalenecarboxylic acid, 3,4-dihydro-

Recent Advances in the Study of 1-Naphthalenecarboxylic acid, 3,4-dihydro- (CAS: 3333-23-1) in Chemical Biology and Pharmaceutical Research

The compound 1-Naphthalenecarboxylic acid, 3,4-dihydro- (CAS: 3333-23-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research briefing aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential applications in drug development.

Recent studies have highlighted the role of 1-Naphthalenecarboxylic acid, 3,4-dihydro- as a key intermediate in the synthesis of various bioactive molecules. Its naphthalene core structure, combined with the carboxylic acid functionality, makes it a versatile building block for the development of novel pharmaceuticals. Researchers have explored its utility in the synthesis of anti-inflammatory, anticancer, and antimicrobial agents, with promising results in preclinical models.

One of the most notable advancements in this area is the development of efficient synthetic routes for 1-Naphthalenecarboxylic acid, 3,4-dihydro-. A recent study published in the Journal of Medicinal Chemistry demonstrated a high-yield, scalable synthesis method that minimizes the use of hazardous reagents, thereby improving the sustainability of the process. This breakthrough is expected to facilitate further research and development efforts involving this compound.

In addition to its synthetic applications, 1-Naphthalenecarboxylic acid, 3,4-dihydro- has shown significant biological activity in various assays. For instance, a study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of this compound exhibit potent inhibitory effects against specific enzymes involved in inflammatory pathways. These findings suggest its potential as a lead compound for the development of new anti-inflammatory drugs.

Furthermore, computational modeling and structure-activity relationship (SAR) studies have provided insights into the molecular interactions of 1-Naphthalenecarboxylic acid, 3,4-dihydro- with biological targets. These studies have identified key structural features that contribute to its bioactivity, paving the way for the design of more potent and selective derivatives.

Despite these promising developments, challenges remain in the clinical translation of 1-Naphthalenecarboxylic acid, 3,4-dihydro--based therapeutics. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through further research. Ongoing studies are focusing on optimizing the pharmacokinetic properties of this compound to enhance its therapeutic potential.

In conclusion, 1-Naphthalenecarboxylic acid, 3,4-dihydro- (CAS: 3333-23-1) represents a valuable scaffold in chemical biology and pharmaceutical research. Its diverse applications, from synthetic intermediates to bioactive molecules, underscore its importance in the field. Continued research efforts are expected to unlock new opportunities for this compound, contributing to the advancement of drug discovery and development.

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