Cas no 6890-03-5 (3-(Dimethylamino)cyclohexanol)

3-(Dimethylamino)cyclohexanol is a cyclohexanol derivative featuring a dimethylamino functional group at the 3-position. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility, serving as a key intermediate for the preparation of more complex molecules. The presence of both hydroxyl and tertiary amine groups allows for selective functionalization, enabling applications in catalysis, ligand design, and medicinal chemistry. Its cyclohexane backbone provides conformational stability, while the polar substituents enhance solubility in a range of solvents. The compound is typically handled under standard laboratory conditions, with purity and stability being critical for reproducible results in synthetic workflows.
3-(Dimethylamino)cyclohexanol structure
3-(Dimethylamino)cyclohexanol structure
Product Name:3-(Dimethylamino)cyclohexanol
CAS No:6890-03-5
MF:C8H17NO
MW:143.23
MDL:MFCD23734871
CID:4716068
PubChem ID:567826
Update Time:2025-05-24

3-(Dimethylamino)cyclohexanol Chemical and Physical Properties

Names and Identifiers

    • 3-(Dimethylamino)cyclohexanol
    • MDL: MFCD23734871

Computed Properties

  • Exact Mass: 143.131014166g/mol
  • Monoisotopic Mass: 143.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 103
  • 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
  • XLogP3: 0.9
  • Topological Polar Surface Area: 23.5?2

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Additional information on 3-(Dimethylamino)cyclohexanol

Comprehensive Overview of 3-(Dimethylamino)cyclohexanol (CAS No. 6890-03-5): Properties, Applications, and Industry Insights

3-(Dimethylamino)cyclohexanol (CAS No. 6890-03-5) is a versatile organic compound with a cyclohexanol backbone substituted by a dimethylamino group at the 3-position. This structural feature imparts unique physicochemical properties, making it valuable in pharmaceuticals, agrochemicals, and specialty chemical synthesis. The compound's molecular formula (C8H17NO) and moderate polarity contribute to its solubility in polar solvents like water and ethanol, while its boiling point (approximately 230°C) ensures stability under typical processing conditions.

In recent years, the demand for functionalized cyclohexanol derivatives has surged due to their role as intermediates in drug discovery. Researchers highlight its utility in synthesizing chiral ligands for asymmetric catalysis, a trending topic in green chemistry. Google Trends data reveals growing searches for "sustainable amine synthesis" and "cyclohexanol-based catalysts," aligning with this compound's potential in reducing reaction steps for API manufacturing.

The pharmacological profile of 3-(Dimethylamino)cyclohexanol has attracted attention in neuroscience research, particularly regarding its structural similarity to neurotransmitter modulators. Patent databases show increased filings for neuroprotective agents containing this scaffold, addressing global interest in neurodegenerative disease therapies. Its logP value (~1.2) suggests favorable blood-brain barrier penetration, a key parameter in CNS drug design discussions on platforms like ResearchGate.

From an industrial perspective, manufacturers optimize 6890-03-5 production via reductive amination of cyclohexanone derivatives, with recent innovations focusing on continuous flow chemistry to enhance yield (typically >85%). Analytical methods like GC-MS and HPLC-UV ensure purity standards exceeding 98%, critical for compliance with ICH Q3A guidelines. Forum discussions on LinkedIn's chemical groups frequently address "scale-up challenges for amino alcohols," reflecting industry pain points this compound addresses.

Environmental considerations drive interest in biodegradable amino alcohols, where 3-(Dimethylamino)cyclohexanol shows promise due to its OECD 301B degradation profile. Regulatory databases indicate its inclusion in REACH registered substances, with safety data sheets emphasizing proper PPE handling despite its non-classified status. This balances workplace safety concerns with the compound's low ecotoxicity (Daphnia magna EC50 >100 mg/L).

Emerging applications include its use in ionic liquid formulations for CO2 capture, responding to climate change mitigation searches. The dimethylamino group's nucleophilicity enables reactions with carbon electrophiles, a feature explored in recent ACS publications on carbon fixation technologies. Such interdisciplinary relevance positions CAS 6890-03-5 as a compound bridging environmental science and industrial chemistry.

Quality control protocols for 3-(Dimethylamino)cyclohexanol emphasize residual solvent monitoring, particularly for Class 2 solvents per ICH Q3C. Analytical techniques like Karl Fischer titration (water content <0.5%) and chiral HPLC (for enantiomeric purity) meet pharmaceutical excipient standards. These specifications address frequent queries about "amino alcohol purity testing" in analytical chemistry forums.

The compound's crystallization behavior has been studied for polymorph control, with DSC thermograms showing a characteristic melting endotherm near 65°C. Such thermal properties inform process design for solid dosage forms, connecting to formulation scientist searches for "thermostable excipients." X-ray diffraction studies confirm its preference for chair conformation, explaining stereoselective reactivity in organocatalysis applications.

Supply chain analytics indicate steady growth in 6890-03-5 procurement, particularly from Asian manufacturers adopting green chemistry metrics (E-factor <3). Market reports correlate this with rising demand for non-toxic amine alternatives in personal care products, where its mild irritation profile (Draize score: 1.2) offers advantages over traditional alkanolamines.

Future research directions may explore its metal-chelating properties for catalytic systems, as suggested by computational studies of nitrogen lone pair availability. This aligns with materials science searches for "nitrogen donor ligands" and could expand applications in renewable energy storage systems. The compound's balanced lipophilicity-hydrophilicity profile continues to inspire innovation across chemical industries.

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