Cas no 841-32-7 (2,2-Diphenylpentanoic Acid)

2,2-Diphenylpentanoic Acid is a synthetic carboxylic acid characterized by its diphenyl-substituted pentanoic acid structure. This compound is primarily utilized in organic synthesis and pharmaceutical research, where its unique steric and electronic properties make it a valuable intermediate. The presence of two phenyl groups at the α-position enhances its stability and influences reactivity, enabling selective transformations. It is often employed in the development of chiral auxiliaries, ligands, or bioactive molecules due to its rigid framework. The acid functionality allows for further derivatization, facilitating its incorporation into more complex architectures. Its consistent purity and well-defined structure ensure reliability in research and industrial applications.
2,2-Diphenylpentanoic Acid structure
2,2-Diphenylpentanoic Acid structure
Product Name:2,2-Diphenylpentanoic Acid
CAS No:841-32-7
MF:C17H18O2
MW:254.323625087738
MDL:MFCD00040210
CID:725855
PubChem ID:96732
Update Time:2025-06-12

2,2-Diphenylpentanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-phenyl-a-propyl-
    • 2,2-Diphenylpentanoic Acid
    • 1.1-Diphenyl-butan-carbonsaeure-(1)
    • 2,2-DIMETHYL-5-NITRO-2H-BENZIMIDAZOLE TRIHYDRATE
    • 2,2-Diphenyl-valeriansaeure
    • 2,2-diphenyl-valeric acid
    • Diphenylpropylacetic acid
    • Propyl-diphenyl-essigsaeure
    • SKF 2314
    • Valeric acid,2,2-diphenyl
    • Valeric acid,2-diphenyl
    • Valeric acid, 2,2-diphenyl- (6CI, 7CI, 8CI)
    • α-Phenyl-α-propylbenzeneacetic acid (ACI)
    • 2,2-Diphenylvaleric acid
    • NSC 88046
    • Benzeneacetic acid, alpha-phenyl-alpha-propyl-
    • ALBB-024934
    • SCHEMBL1614867
    • Valeric acid,2-diphenyl-
    • DTXSID9061203
    • AS-63891
    • NS00038421
    • DB-312988
    • NSC-88046
    • 841-32-7
    • MFCD00040210
    • IVYXLCYENQNVHM-UHFFFAOYSA-N
    • E78382
    • Diphenyl-propylessigsaure
    • Benzeneacetic acid, .alpha.-phenyl-.alpha.-propyl-
    • CS-0159888
    • Valeric acid, 2,2-diphenyl-
    • EINECS 212-665-6
    • AKOS015998317
    • NSC88046
    • MDL: MFCD00040210
    • Inchi: 1S/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)
    • InChI Key: IVYXLCYENQNVHM-UHFFFAOYSA-N
    • SMILES: O=C(C(CCC)(C1C=CC=CC=1)C1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 254.13100
  • Monoisotopic Mass: 254.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 268
  • 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
  • Topological Polar Surface Area: 37.3
  • XLogP3: 4.3

Experimental Properties

  • Color/Form: Gray white crystalline solid
  • Density: 1.104
  • Melting Point: 154-156°C
  • Boiling Point: 332.7°C at 760 mmHg
  • Flash Point: 169℃
  • Refractive Index: 1.566
  • PSA: 37.30000
  • LogP: 3.85740
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2,2-Diphenylpentanoic Acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,2-Diphenylpentanoic Acid Pricemore >>

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eNovation Chemicals LLC
D770212-5g
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2,2-Diphenylpentanoic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethanol
Reference
Preparation of diphenylpropylacetic acid and some similar products
Rumpf, Paul; Taieb, Claude, Bulletin de la Societe Chimique de France, 1958, 465, 465-6

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium bicarbonate ,  Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water
1.2 Reagents: Sulfuric acid
Reference
Molecular modification of anticholinergics as probes for muscarinic receptors. 1. Amino esters of α-substituted phenylacetic acid and related analogs
Lu, Matthias C.; Wung, Walley E.; Shih, Lisa B.; Callejas, Soledad; Gearien, James E.; et al, Journal of Medicinal Chemistry, 1987, 30(2), 273-8

2,2-Diphenylpentanoic Acid Raw materials

2,2-Diphenylpentanoic Acid Preparation Products

2,2-Diphenylpentanoic Acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:841-32-7)2,2-Diphenylpentanoic Acid
Order Number:A933032
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:09
Price ($):162.0

Additional information on 2,2-Diphenylpentanoic Acid

Recent Advances in the Study of 2,2-Diphenylpentanoic Acid (CAS: 841-32-7) in Chemical Biology and Pharmaceutical Research

2,2-Diphenylpentanoic Acid (CAS: 841-32-7) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This compound, characterized by its diphenyl moiety and pentanoic acid backbone, has been the subject of several studies exploring its biological activity, mechanism of action, and potential as a lead compound in drug development. Recent literature highlights its role in modulating key biological pathways, making it a promising candidate for further investigation.

A 2023 study published in the Journal of Medicinal Chemistry investigated the inhibitory effects of 2,2-Diphenylpentanoic Acid on inflammatory cytokines, demonstrating its potential as an anti-inflammatory agent. The researchers utilized in vitro assays and molecular docking simulations to elucidate its interaction with cyclooxygenase-2 (COX-2), a key enzyme in the inflammatory response. The results indicated a significant reduction in pro-inflammatory cytokine levels, suggesting its applicability in treating chronic inflammatory diseases.

In addition to its anti-inflammatory properties, recent research has explored the compound's potential in oncology. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported that 2,2-Diphenylpentanoic Acid exhibits selective cytotoxicity against certain cancer cell lines, particularly those associated with breast and prostate cancers. The study employed high-throughput screening and transcriptomic analysis to identify the compound's impact on apoptosis-related genes, revealing its ability to induce programmed cell death in malignant cells while sparing normal tissues.

The synthesis and optimization of 2,2-Diphenylpentanoic Acid derivatives have also been a focus of recent investigations. A team of researchers from the University of Cambridge published a paper in Chemical Communications (2024) detailing a novel synthetic route that improves yield and purity while reducing environmental impact. Their work highlights the importance of green chemistry principles in the development of pharmaceutical intermediates, with 2,2-Diphenylpentanoic Acid serving as a model compound for these advancements.

Pharmacokinetic studies of 2,2-Diphenylpentanoic Acid have provided valuable insights into its drug-like properties. Research conducted at the National Institutes of Health (2023) demonstrated favorable absorption and distribution characteristics in animal models, with particular attention to its blood-brain barrier permeability. These findings open new possibilities for the compound's application in central nervous system disorders, though further optimization may be required to enhance its metabolic stability.

As the scientific community continues to explore the potential of 2,2-Diphenylpentanoic Acid, interdisciplinary collaborations between chemists, biologists, and pharmacologists are proving crucial. The compound's versatility and demonstrated biological activities position it as a valuable tool for both basic research and drug discovery efforts. Future studies are expected to focus on structure-activity relationship optimization and clinical translation of these promising preclinical findings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:841-32-7)2,2-Diphenylpentanoic Acid
A933032
Purity:99%
Quantity:5g
Price ($):162.0
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