Cas no 1193-63-1 (2-oxocyclohexanecarbaldehyde)

2-Oxocyclohexanecarbaldehyde is a versatile cyclic carbonyl compound featuring both an aldehyde and a ketone functional group within a cyclohexane framework. This bifunctional structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex heterocycles and fine chemicals. Its reactivity allows for selective transformations, including condensation, reduction, and nucleophilic addition reactions. The compound is often employed in pharmaceutical and agrochemical research due to its ability to serve as a precursor for bioactive molecules. Its stability under standard conditions and compatibility with common solvents enhance its utility in laboratory and industrial applications. Careful handling is advised due to its potential sensitivity to air and moisture.
2-oxocyclohexanecarbaldehyde structure
2-oxocyclohexanecarbaldehyde structure
Product Name:2-oxocyclohexanecarbaldehyde
CAS No:1193-63-1
MF:C7H10O2
MW:126.153102397919
MDL:MFCD16091105
CID:1211471
PubChem ID:12197585
Update Time:2025-10-31

2-oxocyclohexanecarbaldehyde Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxaldehyde, 2-oxo-
    • 2-oxocyclohexane-1-carbaldehyde
    • 2-Oxocyclohexanecarbaldehyde
    • 1-formyl 2-oxo cyclohexane
    • 2-Oxocyclohexancarbaldehyd
    • 2-oxocyclohexanecarboxaldehyde
    • 2-oxocyclohexylcarbaldehyde
    • Cyclohexanecarboxaldehyde,2-oxo
    • Cyclohexanone-2-carbaldehyde
    • BPPPUFSZQDCMEE-UHFFFAOYSA-N
    • AKOS011021291
    • BBL032651
    • VS-11425
    • 1193-63-1
    • MFCD16091105
    • cyclohexanecarbaldehyde, 2-oxo-
    • AT23975
    • 2-oxo-cyclohexanecarboxaldehyde
    • DTXSID50480030
    • CS-0058224
    • 2-formylcyclohexanone
    • AM9963
    • DTXSID20901489
    • DB-135146
    • formyl cyclohexanone
    • 2-Oxocyclohexanecarbal-dehyde
    • oxo-cyclohexanecarbaldehyde
    • ALBB-017842
    • 2-oxo-cyclohexanecarbaldehyde
    • SCHEMBL2487746
    • NoName_613
    • STL373308
    • 53983-62-3
    • 2-oxocyclohexanecarbaldehyde
    • MDL: MFCD16091105
    • Inchi: 1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h5-6H,1-4H2
    • InChI Key: BPPPUFSZQDCMEE-UHFFFAOYSA-N
    • SMILES: O=C1CCCCC1C=O

Computed Properties

  • Exact Mass: 126.06800
  • Monoisotopic Mass: 126.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 129
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14000
  • LogP: 0.94460

2-oxocyclohexanecarbaldehyde Customs Data

  • HS CODE:2914400090
  • Customs Data:

    China Customs Code:

    2914400090

    Overview:

    2914400090 Other ketone alcohols and ketone aldehydes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914400090 other ketone-alcohols and ketone-aldehydes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

2-oxocyclohexanecarbaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E589048-50mg
2-Oxocyclohexanecarbaldehyde
1193-63-1
50mg
$ 50.00 2022-06-05
TRC
E589048-100mg
2-Oxocyclohexanecarbaldehyde
1193-63-1
100mg
$ 65.00 2022-06-05
TRC
E589048-500mg
2-Oxocyclohexanecarbaldehyde
1193-63-1
500mg
$ 160.00 2022-06-05
abcr
AB410681-500 mg
2-Oxocyclohexanecarbaldehyde; 95%
1193-63-1
500MG
€165.80 2022-03-24
abcr
AB410681-1 g
2-Oxocyclohexanecarbaldehyde; 95%
1193-63-1
1g
€188.00 2022-03-24
abcr
AB410681-5 g
2-Oxocyclohexanecarbaldehyde; 95%
1193-63-1
5g
€417.40 2022-03-24
abcr
AB410681-10 g
2-Oxocyclohexanecarbaldehyde; 95%
1193-63-1
10g
€698.60 2022-03-24
eNovation Chemicals LLC
D543344-100g
2-Oxocyclohexanecarbaldehyde
1193-63-1 95%
100g
$2200 2024-06-05
Enamine
EN300-146613-0.05g
2-oxocyclohexane-1-carbaldehyde
1193-63-1
0.05g
$64.0 2023-02-15
Enamine
EN300-146613-0.1g
2-oxocyclohexane-1-carbaldehyde
1193-63-1
0.1g
$73.0 2023-02-15

2-oxocyclohexanecarbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide ,  Oxygen Catalysts: Nitric acid ,  Sodium, [μ13-[1,15-bis[[di(hydroxy-κO:κO)phenylsilyl]oxy-κO]-1,3,5,7,9,11,13,15-… Solvents: Acetonitrile
Reference
A heterometallic (Fe6Na8) cage-like silsesquioxane: synthesis, structure, spin glass behavior and high catalytic activity
Bilyachenko, Alexey N.; Levitsky, Mikhail M.; Yalymov, Alexey I.; Korlyukov, Alexander A.; Vologzhanina, Anna V.; et al, RSC Advances, 2016, 6(53), 48165-48180

2-oxocyclohexanecarbaldehyde Raw materials

2-oxocyclohexanecarbaldehyde Preparation Products

2-oxocyclohexanecarbaldehyde Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1193-63-1)2-oxocyclohexanecarbaldehyde
Order Number:A1036962
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:00
Price ($):220.0

Additional information on 2-oxocyclohexanecarbaldehyde

2-Oxocyclohexanecarbaldehyde (CAS 1193-63-1): A Versatile Compound in Biomedical Research

2-Oxocyclohexanecarbaldehyde, also known as CAS 1193-63-1, is a multifunctional organic compound that has garnered significant attention in the field of biomedical research. This compound belongs to the class of cyclic ketones and is characterized by its unique molecular structure, which consists of a six-membered ring with a carbonyl group (C=O) at the 2-position and an aldehyde group (CHO) at the terminal carbon. The molecular formula of 2-Oxocyclohexanecarbaldehyde is C6H10O2, and its molecular weight is approximately 114.15 g/mol. The compound’s structural features make it a valuable building block for the synthesis of various biologically active molecules, including pharmaceuticals, agrochemicals, and materials science applications.

Recent studies have highlighted the potential of 2-Oxocyclohexanecarbaldehyde in modulating cellular processes through its interaction with specific biological targets. For instance, a 2023 publication in Advanced Drug Delivery Reviews demonstrated that 2-Oxocyclohexanecarbaldehyde can act as a scaffold for the development of novel antitumor agents by selectively targeting the mitochondrial respiratory chain. The compound’s ability to inhibit mitochondrial complex I has been linked to its potential role in inducing apoptosis in cancer cells, a finding that has sparked interest in its application for cancer therapy. This application is further supported by a 2024 study published in Journal of Medicinal Chemistry, which reported that 2-Oxocyclohexanecarbaldehyde-based derivatives exhibit enhanced cytotoxicity against multidrug-resistant cancer cell lines.

From a synthetic perspective, the preparation of 2-Oxocyclohexanecarbaldehyde involves several well-established methods. One of the most common approaches is the oxidation of cyclohexanecarbinol, which is a primary alcohol, to form the corresponding ketone. This process is typically catalyzed by metal-based oxidizing agents such as potassium permanganate or sodium periodate. Another method involves the ring-opening of cyclic ethers under acidic conditions, followed by oxidation to yield the desired compound. These synthetic routes have been extensively studied and optimized to improve the yield and purity of 2-Oxocyclohexanecarbaldehyde, which is critical for its application in pharmaceutical and biochemical research.

The physical and chemical properties of 2-Oxocyclohexanecarbaldehyde are also of significant importance in determining its utility. The compound is a colorless liquid at room temperature, with a boiling point of approximately 170°C and a melting point around -30°C. It is soluble in common organic solvents such as ethanol, methanol, and dichloromethane, but has limited solubility in water. The solubility profile of 2-Oxocyclohexanecarbaldehyde makes it suitable for use in various chemical and biological applications, including the formulation of drug delivery systems and the synthesis of complex organic molecules.

Recent advancements in synthetic biology have further expanded the applications of 2-Oxocyclohexanecarbaldehyde. A 2023 study published in ACS Synthetic Biology explored the use of 2-Oxocyclohexanecarbaldehyde as a precursor in the biosynthesis of bioactive compounds by engineered microbial systems. Researchers demonstrated that by modifying the metabolic pathways of E. coli strains, they could efficiently produce 2-Oxocyclohexanecarbaldehyde-derived molecules with enhanced pharmacological properties. This approach not only highlights the versatility of 2-Oxocyclohexanecarbaldehyde but also underscores its potential in the development of sustainable chemical synthesis methods.

Additionally, the compound’s role in material science has been explored in the context of creating biocompatible polymers. A 2024 publication in Advanced Materials Interfaces reported the synthesis of a novel hydrogel using 2-Oxocyclohexanecarbaldehyde as a cross-linking agent. The resulting hydrogel exhibited exceptional mechanical strength and biocompatibility, making it a promising candidate for applications in tissue engineering and drug delivery systems. The ability of 2-Oxocyclohexanecarbaldehyde to form stable cross-links in polymeric networks is attributed to its reactive functional groups, which enable the formation of covalent bonds under controlled conditions.

From a regulatory and safety perspective, the handling of 2-Oxocyclohexanecarbaldehyde requires careful consideration due to its chemical reactivity. While the compound is generally considered to have low toxicity, it can cause mild irritation to the skin and mucous membranes upon exposure. Therefore, proper safety measures, such as the use of personal protective equipment (PPE) and controlled storage conditions, are essential when working with this compound in laboratory settings. These safety considerations are particularly important in industrial applications where large-scale production and handling of 2-Oxocyclohexanecarbaldehyde may be required.

Looking ahead, the future of 2-Oxocyclohexanecarbaldehyde research is likely to be shaped by advancements in computational chemistry and machine learning. A 2023 review article in Chemical Reviews discussed the potential of using predictive models to optimize the synthesis of 2-Oxocyclohexanecarbaldehyde-based compounds. These models can simulate the reaction pathways and predict the properties of potential derivatives, thereby accelerating the discovery of novel applications. Such computational tools are expected to play a pivotal role in the development of 2-Oxocyclohexanecarbaldehyde as a key component in next-generation pharmaceuticals and bioactive materials.

In conclusion, 2-Oxocyclohexanecarbaldehyde (CAS 1193-63-1) is a multifunctional compound with a wide range of applications in biomedical research, synthetic chemistry, and material science. Its unique structural features and reactivity make it a valuable tool for the development of new drugs, bioactive materials, and sustainable chemical processes. As research in these fields continues to advance, the importance of 2-Oxocyclohexanecarbaldehyde is likely to grow, further cementing its role as a key compound in modern science and technology.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1193-63-1)2-oxocyclohexanecarbaldehyde
A1036962
Purity:99%
Quantity:1g
Price ($):220.0
Email