Cas no 35951-28-1 (2-Chlorocyclododecanone)

2-Chlorocyclododecanone is a chlorinated cyclic ketone with a 12-membered carbon ring structure, commonly employed as an intermediate in organic synthesis. Its key advantages include its reactivity as an electrophile due to the presence of the carbonyl and chloro functional groups, making it useful for nucleophilic substitution reactions and ring-expansion processes. The compound's stability and defined molecular structure facilitate controlled transformations in complex synthetic pathways, particularly in the production of specialty chemicals and pharmaceuticals. Its cyclic nature also offers steric constraints that can influence selectivity in reactions. Proper handling is required due to potential reactivity hazards.
2-Chlorocyclododecanone structure
2-Chlorocyclododecanone structure
Product Name:2-Chlorocyclododecanone
CAS No:35951-28-1
MF:C12H21ClO
MW:216.747543096542
CID:54519
PubChem ID:87566642
Update Time:2025-06-09

2-Chlorocyclododecanone Chemical and Physical Properties

Names and Identifiers

    • 2-Chlorocyclododecanone
    • 2-Chlorocyclododecane-1-one
    • 2-chlorocyclododecan-1-one
    • VDNDILHUSVTMNI-UHFFFAOYSA-N
    • a-chlorocyclododecanone
    • Cyclododecanone,2-chloro-
    • 2-Chlorocyclododecanone #
    • Cyclododecanone, 2-chloro-
    • 2-chloro-cyclododecan-1-one
    • FCH1326739
    • HCH0011535
    • C1650
    • 951C281
    • SCHEMBL5163241
    • SY054697
    • MFCD04117912
    • T70825
    • 35951-28-1
    • CS-0365252
    • DTXSID80340678
    • DTXCID00291759
    • MDL: C153775
    • Inchi: 1S/C12H21ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11H,1-10H2
    • InChI Key: VDNDILHUSVTMNI-UHFFFAOYSA-N
    • SMILES: ClC1C(CCCCCCCCCC1)=O

Computed Properties

  • Exact Mass: 216.12800
  • Monoisotopic Mass: 216.1280930g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 168
  • 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
  • Topological Polar Surface Area: 17.1
  • XLogP3: 4.7

Experimental Properties

  • PSA: 17.07000
  • LogP: 4.07750

2-Chlorocyclododecanone Security Information

2-Chlorocyclododecanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

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

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2-Chlorocyclododecanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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$ 50.00 2022-06-06
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2-Chlorocyclododecanone Production Method

Additional information on 2-Chlorocyclododecanone

Recent Advances in the Study of 2-Chlorocyclododecanone (CAS: 35951-28-1) in Chemical Biology and Pharmaceutical Research

2-Chlorocyclododecanone (CAS: 35951-28-1) is a chlorinated cyclic ketone that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its 12-membered ring structure and reactive chloro and ketone functional groups, serves as a versatile intermediate in the synthesis of complex molecules. Recent studies have explored its utility in drug discovery, material science, and as a building block for bioactive compounds. This research brief aims to summarize the latest findings related to 2-Chlorocyclododecanone, highlighting its synthesis, biological activities, and potential therapeutic applications.

One of the key areas of research involving 2-Chlorocyclododecanone is its role in the synthesis of macrocyclic compounds. Macrocycles are increasingly important in drug discovery due to their ability to bind challenging targets, such as protein-protein interactions. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the use of 2-Chlorocyclododecanone as a precursor in the synthesis of novel macrocyclic kinase inhibitors. The researchers utilized the compound's reactive chloro group to facilitate ring-closing metathesis, yielding potent inhibitors with improved selectivity profiles. This work underscores the compound's value in the development of next-generation therapeutics.

In addition to its synthetic applications, 2-Chlorocyclododecanone has been investigated for its intrinsic biological activities. A recent study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of 2-Chlorocyclododecanone exhibit moderate antimicrobial activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). The researchers proposed that the compound's lipophilic nature and ability to disrupt bacterial cell membranes contribute to this activity. These findings suggest potential applications in the development of new antimicrobial agents, particularly in the face of rising antibiotic resistance.

The pharmacokinetic properties of 2-Chlorocyclododecanone and its derivatives have also been a focus of recent research. A 2024 study in Drug Metabolism and Disposition characterized the metabolic fate of this compound in vitro using human liver microsomes. The study identified several phase I metabolites, including hydroxylated and dechlorinated products, and evaluated their stability and potential toxicity. These insights are crucial for understanding the drug-like properties of 2-Chlorocyclododecanone-based compounds and guiding future structural modifications to improve metabolic stability.

From a materials science perspective, 2-Chlorocyclododecanone has shown promise as a monomer for the synthesis of specialty polymers. Researchers at a leading polymer institute recently reported the development of a new class of cyclododecanone-based polyesters with unique thermal and mechanical properties. The incorporation of 2-Chlorocyclododecanone into the polymer backbone allowed for fine-tuning of the material's crystallinity and degradation profile, making it potentially useful for biomedical applications such as controlled drug delivery systems.

Looking forward, the diverse applications of 2-Chlorocyclododecanone (CAS: 35951-28-1) continue to expand across chemical biology and pharmaceutical research. Current challenges include optimizing its synthetic accessibility and further exploring structure-activity relationships among its derivatives. With ongoing advances in synthetic methodology and biological evaluation, this compound is poised to play an increasingly important role in the development of novel therapeutic agents and functional materials. Future research directions may include its application in targeted drug delivery systems, as a scaffold for PROTACs (proteolysis targeting chimeras), or as a component of supramolecular assemblies for biomedical applications.

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