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Chemical Structure| 87771-41-3 Chemical Structure| 87771-41-3

Structure of 87771-41-3

Chemical Structure| 87771-41-3

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CAS No.: 87771-41-3

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Product Citations

Product Citations

He, Jiangtao ; Dissanayake, Milan ; Tian, Jingzhi ; Rustum, Abu ;

Abstract: During a stability test of an animal health finished drug product (liquid transdermal formulation packed in plastic syringe), several unexpected peaks were observed in the HPLC chromatogram. The structure and possible origin of these unknown peaks needed to be determined to ensure the safety and efficacy of the finished drug product. Each unknown peak poses different analytical challenges for full structure elucidation. In this paper, we presented the strategies and experimental results for the identification of these unexpected peaks using a combination of different advanced analytical techniques, namely HPLC/PDA, High Resolution MS and MS2, and Headspace GC/MS. The orthogonal information provided by UV spectra, HRMS data, elemental composition, and MS2 fragmentation of these unknown peaks were used to propose the most probable structures for these unknown peaks. The proposed structures of these unknown peaks were fully confirmed by authentic compounds. The origins of these compounds were identified through an extraction study of the primary packaging materials. Hence, the unknown peaks were confirmed as leachable compounds from the primary packaging materials. Successful identification of these compounds enables quantification and toxicological evaluation. Additionally, the identification of these leachable compounds can be used to improve the primary package production process. By minimizing or eliminating the use of these compounds in the package production process, the risk of these compounds migrating into final finished drug product will be minimized in the future.

Keywords: Impurities ; Extractables/Leachables ; Structure Elucidation ; High-Resolution Mass Spectrometry ; Headspace Gas Chromatography-Mass Spectrometry

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Alternative Products

Product Details of [ 87771-41-3 ]

CAS No. :87771-41-3
Formula : C11H14O2
M.W : 178.23
SMILES Code : CC(C1=CC=CC(C(C)(O)C)=C1)=O
MDL No. :MFCD00134683
InChI Key :MNEFLNSJCTVLTJ-UHFFFAOYSA-N
Pubchem ID :13531419

Safety of [ 87771-41-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 87771-41-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 87771-41-3 ]

[ 87771-41-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 99-62-7 ]
  • [ 80937-33-3 ]
  • m-(2-hydroperoxy-2-propyl)acetophenone [ No CAS ]
  • [ 1999-85-5 ]
  • [ 13387-60-5 ]
  • [ 721-26-6 ]
  • [ 87771-41-3 ]
  • [ 14860-89-0 ]
  • [ 40428-87-3 ]
  • 2
  • [ 13387-60-5 ]
  • m-(2-hydroperoxy-2-propyl)acetophenone [ No CAS ]
  • [ 1999-85-5 ]
  • [ 80-24-0 ]
  • [ 721-26-6 ]
  • [ 87771-41-3 ]
  • [ 14860-89-0 ]
  • [ 40428-87-3 ]
 

Historical Records

Technical Information

• Appel Reaction • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chugaev Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Fischer Indole Synthesis • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Leuckart-Wallach Reaction • Martin's Sulfurane Dehydrating Reagent • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Alcohols • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Alcohols • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions with Organometallic Reagents • Reformatsky Reaction • Ritter Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Swern Oxidation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

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