Cas no 14996-78-2 (2-phenylcycloheptan-1-one)

2-Phenylcycloheptan-1-one is a cyclic ketone featuring a phenyl substituent at the 2-position of a seven-membered cycloheptane ring. This compound is of interest in organic synthesis due to its structural framework, which serves as a versatile intermediate for the preparation of more complex molecules. The cycloheptanone core offers conformational flexibility, while the phenyl group enhances reactivity in electrophilic or nucleophilic transformations. Its balanced lipophilicity and steric profile make it suitable for applications in medicinal chemistry and materials science. The compound is typically synthesized via Friedel-Crafts acylation or ring-expansion methodologies, ensuring high purity and reproducibility for research and industrial use.
2-phenylcycloheptan-1-one structure
2-phenylcycloheptan-1-one structure
Product Name:2-phenylcycloheptan-1-one
CAS No:14996-78-2
MF:C13H16O
MW:188.265543937683
MDL:MFCD00121705
CID:208503
PubChem ID:85792
Update Time:2025-11-06

2-phenylcycloheptan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2-Phenylcycloheptanone
    • 2-phenylcycloheptan-1-one
    • Cycloheptanone,2-phenyl-
    • 2-phenyl-cycloheptan-1-one
    • 2-phenyl-cycloheptanone
    • rac-2-phenylcycloheptanone
    • (+/-)-2-PHENYLCYCLOHEPTANONE
    • (±)-2-Phenylcycloheptanone,99%
    • (+ -)-2-PHENYLCYCLOHEPTANONE 99%
    • CS-0262149
    • DTXSID00871237
    • CCG-40377
    • NSC80682
    • AKOS009157074
    • EN300-816171
    • A20894
    • NSC 80682
    • E73413
    • FT-0654333
    • Cycloheptanone, 2-phenyl-
    • NS00051800
    • 14996-78-2
    • SCHEMBL4063122
    • EINECS 239-083-5
    • 2-Phenyl-cycloheptanon
    • NSC-80682
    • PVHNKILPLXXDDZ-UHFFFAOYSA-N
    • DB-006209
    • MDL： MFCD00121705
    • Inchi： 1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
    • InChI Key： PVHNKILPLXXDDZ-UHFFFAOYSA-N
    • SMILES： O=C1CCCCCC1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 188.12000
  • Monoisotopic Mass: 188.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 191
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.2
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.038?g/mL?at 25?°C(lit.)
  • Melting Point: 21-23 °C
  • Boiling Point: 136-138 °C (4 mmHg)
  • Flash Point: 113?°C
  • Refractive Index: 1.541-1.543
  • PSA: 17.07000
  • LogP: 3.30340
  • Solubility: Not available

2-phenylcycloheptan-1-one Security Information

2-phenylcycloheptan-1-one Customs Data

  • HS CODE：2914399090
  • Customs Data：

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

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

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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2-phenylcycloheptan-1-one Related Literature

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Additional information on 2-phenylcycloheptan-1-one

Market Research and Analysis Report on 2-Phenylcycloheptan-1-One (14996-78-2)

The compound 2-phenylcycloheptan-1-one, identified by the CAS number 14996-78-2, has garnered significant attention in the chemical and pharmaceutical industries due to its unique structural properties and potential applications in drug development. This report provides an in-depth analysis of the market dynamics, research advancements, and commercial prospects surrounding this compound.

Recent studies have highlighted the role of 2-phenylcycloheptan-1-one as a key intermediate in the synthesis of bioactive molecules. Its cycloheptanone backbone, combined with a phenyl group, offers versatility in chemical modifications, making it a valuable asset in medicinal chemistry. Researchers have explored its potential as a scaffold for developing novel therapeutics targeting various diseases, including cancer and neurodegenerative disorders.

The global demand for 2-phenylcycloheptan-1-one is driven by its increasing use in academic research and preclinical trials. Major pharmaceutical companies and research institutions are investing heavily in exploring its pharmacokinetic properties and bioavailability. Additionally, the compound's application in agrochemicals and specialty chemicals has further expanded its market reach.

To meet the growing demand, several suppliers have optimized their production processes to ensure high-quality synthesis of 2-phenylcycloheptan-1-one. Advanced synthetic methodologies, including catalytic asymmetric synthesis and microwave-assisted reactions, have been employed to enhance yield and purity. These innovations have not only improved product consistency but also reduced production costs, making the compound more accessible to both industrial and academic users.

The market analysis reveals a competitive landscape with key players focusing on strategic partnerships and collaborations to strengthen their portfolios. Collaborations between chemical manufacturers and pharmaceutical firms are becoming increasingly common, fostering innovation and accelerating product development. Furthermore, regulatory trends favoring sustainable chemistry practices are encouraging manufacturers to adopt eco-friendly production methods for 2-phenylcycloheptan-1-one.

In conclusion, 2-phenylcycloheptan-1-one (14996-78-2) holds immense potential as a versatile building block in the chemical and pharmaceutical industries. Its expanding applications, coupled with advancements in synthetic techniques, position it as a critical component in future drug discovery efforts. As market demand continues to grow, stakeholders are expected to focus on innovation, sustainability, and strategic alliances to maintain a competitive edge in this dynamic sector.

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