Cas no 1127-13-5 (4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid)

4-Hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid is a bicyclic organic compound featuring a hydroxyl group and a carboxylic acid functionality on a rigid [2.2.2]octane scaffold. This structure imparts steric constraints and conformational stability, making it a valuable intermediate in synthetic chemistry, particularly for the development of pharmacologically active molecules or chiral auxiliaries. The presence of both hydroxyl and carboxyl groups allows for versatile derivatization, enabling applications in asymmetric synthesis, ligand design, and material science. Its rigid framework may also enhance binding selectivity in molecular recognition studies. The compound is typically handled under standard laboratory conditions, with stability dependent on proper storage to prevent degradation.
4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid structure
1127-13-5 structure
Product Name:4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid
CAS No:1127-13-5
MF:C9H14O3
MW:170.205663204193
MDL:MFCD00102273
CID:1200728
PubChem ID:12560136
Update Time:2025-10-25

4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Hydroxybicyclo[2.2.2]octane-1-carboxylic acid
    • CTK0G1430
    • QC-4578
    • 4-hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid
    • Bicyclo[2.2.2]octane-1-carboxylic acid, 4-hydroxy-
    • 1-Hydroxy-4-carboxy-bicyclo-&lt
    • 2.2.2&gt
    • -octan
    • 1-Carboxy-4-hydroxybicyclo&lt
    • octan
    • 4-Hydroxy-bicyclo[2.2.2]octan-1-carbonsaeure
    • SureCN2826212
    • 4-Hydroxy-bicyclo&lt
    • octan-1-carbonsaeure
    • 1-Carboxy-4-hydroxybicyclo< 2.2.2> octan
    • 1-Hydroxy-4-carboxy-bicyclo-< 2.2.2> -octan
    • 4-Hydroxy-bicyclo< 2.2.2> octan-1-carbonsaeure
    • DB-295374
    • AS-36613
    • SB83979
    • SY037182
    • LXQJPKMORWPZGM-UHFFFAOYSA-N
    • 4-hydroxybicyclo[2.2.2]octane-1-carboxylicacid
    • MFCD00102273
    • A846837
    • EN300-109769
    • CS-0030011
    • AKOS006302239
    • DTXSID50502564
    • AMY19105
    • SCHEMBL2826212
    • 1127-13-5
    • AKOS022638114
    • 4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid
    • MDL: MFCD00102273
    • Inchi: 1S/C9H14O3/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h12H,1-6H2,(H,10,11)
    • InChI Key: LXQJPKMORWPZGM-UHFFFAOYSA-N
    • SMILES: OC12CCC(C(=O)O)(CC1)CC2

Computed Properties

  • Exact Mass: 170.09432
  • Monoisotopic Mass: 170.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 197
  • 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: 0.5
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.398±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 224-226 oC (bomb tube)
  • Boiling Point: 322.2±42.0℃ at 760 mmHg
  • Solubility: Slightly soluble (29 g/l) (25 o C),
  • PSA: 57.53

4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid Pricemore >>

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Additional information on 4-Hydroxy-bicyclo2.2.2octane-1-carboxylic acid

Comprehensive Overview of 4-Hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid (CAS No. 1127-13-5): Properties, Applications, and Industry Insights

4-Hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid (CAS No. 1127-13-5) is a unique bicyclic compound that has garnered significant attention in pharmaceutical and chemical research due to its rigid molecular structure and functional versatility. This carboxylic acid derivative features a bicyclo[2.2.2]octane skeleton, which imparts exceptional steric stability, making it valuable for drug design and material science applications. Researchers often explore its potential as a chiral building block or bioactive intermediate, particularly in synthesizing compounds with enhanced metabolic resistance.

The compound’s hydroxyl group at the 4-position and carboxylic acid moiety enable diverse chemical modifications, aligning with trends in green chemistry and sustainable synthesis. Recent studies highlight its role in developing biodegradable polymers and non-toxic catalysts, addressing growing demand for eco-friendly alternatives. Its low toxicity profile further supports applications in cosmetic formulations and food-grade additives, topics frequently searched in regulatory and consumer forums.

Analytical techniques like HPLC, NMR, and mass spectrometry are critical for characterizing 4-Hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid, ensuring purity for high-value applications. Industry queries often focus on its solubility data (e.g., in water or organic solvents) and thermal stability, which are meticulously documented in supplier databases. The compound’s crystalline form and melting point (~180–185°C) also make it a candidate for co-crystallization studies, a trending topic in pharmaceutical solid-state chemistry.

Emerging applications include its use in metal-organic frameworks (MOFs) for gas storage, leveraging its rigid backbone. Patent analyses reveal increasing interest in 4-Hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid derivatives for OLED materials, responding to the global push for energy-efficient displays. SEO data indicates frequent searches for "bicyclic compounds in electronics" and "high-performance additives," underscoring its cross-industry relevance.

Regulatory compliance is another hot topic. While CAS 1127-13-5 is not classified as hazardous, its handling guidelines align with REACH and FDA standards, often queried by manufacturers. The compound’s logP value and pKa are key parameters for QSAR modeling, a technique widely discussed in computational chemistry circles. Suppliers emphasize batch-to-batch consistency, a priority for quality-conscious buyers.

In conclusion, 4-Hydroxy-bicyclo[2.2.2]octane-1-carboxylic acid exemplifies innovation at the intersection of chemistry and sustainability. Its adaptability to green synthesis routes and alignment with circular economy principles position it as a compound of enduring scientific and industrial value.

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