Cas no 847749-28-4 (Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy-)

Technical Introduction: Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy-, is a substituted aromatic compound featuring a chloro, cyclohexyl, and hydroxyl functional group on the benzaldehyde scaffold. This structure imparts unique reactivity and potential utility in organic synthesis, particularly as an intermediate for pharmaceuticals, agrochemicals, or specialty chemicals. The presence of the electron-withdrawing chloro group and the sterically demanding cyclohexyl moiety may influence regioselectivity in further derivatization. The hydroxyl group offers additional functionalization opportunities, such as etherification or esterification. Its distinct substitution pattern makes it valuable for constructing complex molecular architectures. Careful handling is advised due to potential sensitivity to oxidation or decomposition under harsh conditions.
Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- structure
847749-28-4 structure
Product Name:Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy-
CAS No:847749-28-4
MF:C13H15ClO2
MW:238.710003137589
MDL:MFCD32665788
CID:4219452
PubChem ID:86035822
Update Time:2025-05-30

Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy-
    • SCHEMBL2353146
    • MFCD32665788
    • 5-chloro-3-cyclohexyl salicylaldehyde
    • 3-Cyclohexyl-5-chloro-salicylaldehyde
    • JLPVKQKXVWYEFS-UHFFFAOYSA-N
    • 5-chloro-3-cyclohexyl-2-hydroxybenzaldehyde
    • 847749-28-4
    • MDL: MFCD32665788
    • Inchi: 1S/C13H15ClO2/c14-11-6-10(8-15)13(16)12(7-11)9-4-2-1-3-5-9/h6-9,16H,1-5H2
    • InChI Key: JLPVKQKXVWYEFS-UHFFFAOYSA-N
    • SMILES: C(=O)C1=CC(Cl)=CC(C2CCCCC2)=C1O

Computed Properties

  • Exact Mass: 238.0760574Da
  • Monoisotopic Mass: 238.0760574Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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: 4.7
  • Topological Polar Surface Area: 37.3?2

Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB525475-500 mg
3-Cyclohexyl-5-chloro-salicylaldehyde; .
847749-28-4
500MG
€246.00 2022-07-29
abcr
AB525475-500mg
3-Cyclohexyl-5-chloro-salicylaldehyde; .
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Additional information on Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy-

Benzaldehyde, 5-Chloro-3-Cyclohexyl-2-Hydroxy-

The compound CAS No. 847749-28-4, also known as Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy-, is a highly specialized organic compound with a complex structure that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound is characterized by its unique combination of functional groups and structural features, which contribute to its versatile applications and intriguing chemical properties.

The molecular structure of Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- comprises a benzene ring with three substituents: a hydroxyl group (-OH) at position 2, a cyclohexyl group (-C6H11) at position 3, and a chloro group (-Cl) at position 5. The presence of these groups imparts distinct chemical reactivity and physical properties to the molecule. The hydroxyl group introduces hydrogen bonding capabilities, while the cyclohexyl group adds steric bulk and potential for further functionalization. The chloro group enhances the compound's electrophilic aromatic substitution reactivity and serves as a leaving group in certain reactions.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- through various methodologies. One notable approach involves the Friedel-Crafts alkylation reaction, where the cyclohexyl group is introduced onto the aromatic ring in the presence of a Lewis acid catalyst. Subsequent oxidation and chlorination steps are employed to introduce the hydroxyl and chloro groups, respectively. These methods have been optimized to achieve high yields and purity levels, making the compound more accessible for research and industrial applications.

In terms of applications, Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- has shown promise in several areas. In pharmacology, it has been investigated as a potential lead compound for drug development due to its ability to interact with various biological targets. For instance, studies have demonstrated its activity against certain enzymes involved in metabolic pathways, suggesting its potential role in treating metabolic disorders. Additionally, its unique structure makes it an attractive candidate for use in chiral catalysis and asymmetric synthesis.

The compound has also found applications in materials science, particularly in the development of advanced polymers and coatings. Its hydroxyl group allows for easy incorporation into polymer networks through cross-linking reactions, while its cyclohexyl group provides mechanical strength and thermal stability to the resulting materials. Recent research has explored its use as a monomer in polyurethane synthesis, where it contributes to the formation of high-performance materials with enhanced durability and resistance to environmental factors.

From an environmental standpoint, Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- has been studied for its biodegradability and eco-friendly properties. Research indicates that under specific conditions, the compound can undergo microbial degradation without releasing harmful byproducts into the environment. This makes it a more sustainable alternative to traditional organic compounds used in various industrial processes.

In conclusion, Benzaldehyde, 5-chloro-3-cyclohexyl-2-hydroxy- (CAS No. 847749-28-4) is a multifaceted organic compound with significant potential across diverse fields. Its unique structure enables a wide range of chemical reactivities and applications, from drug discovery to materials development. As research continues to uncover new insights into its properties and uses, this compound is poised to play an increasingly important role in advancing modern science and technology.

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