913548-29-5

Basic information

• Product Name: 1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea
• CAS NO: 913548-29-5
• Molecular Weight: 319.447
• Mol File: 913548-29-5.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 554.1±39.0 °C(Predicted)
• Density: 1.19±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea(913548-29-5)
• EPA Substance Registry System: 1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea(913548-29-5)

Safety Data

• Hazardous Substances Data: 913548-29-5(Hazardous Substances Data)

Usage

General Description

1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea, is a synthetic organic compound with potential pharmaceutical applications. It is a urea derivative containing an acetylpyridin-4-yl group and an adamant-1-yl group. The acetylpyridin-4-yl group is a derivative of pyridine and the adamant-1-yl group is a derivative of adamantane. 1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea has shown potential as a drug candidate due to its unique structural features and potential pharmacological properties. Further research and studies are needed to fully understand its therapeutic potential and possible applications in the pharmaceutical industry.

Upstream product

• 530120-27-5 N-acetyl-piperid-4-yl carboxamide 
• 75-36-5 acetyl chloride 
• 670253-16-4 4-[(phenoxycarbonyl)amino]piperidine-1-carboxylic acid tert-butyl ester 
• 1118-02-1 trimethylsilyl isocyanate 
• 281-23-2 adamantane 
• 160357-94-8 1-(4-amino-piperidin-1-yl)-ethanone 
• 87120-72-7 1-(tert-butoxycarbonyl)-4-aminopiperidine 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 632352-88-6 tert-butyl 4-(((4-nitrophenoxy)carbonyl)amino)piperidine-1-carboxylate 
• 150008-24-5 tert-butyl 4-(hydroxyimino)piperidine-1-carboxylate 
• 108-24-7 acetic anhydride 
• 768-94-5 1-Adamantanamine 
• 4411-25-0 1-adamantyl isocyanate 
• 13035-19-3 4-aminopiperidine 

Relevant articles and documents

sEH Inhibitor or pharmaceutically acceptable composition thereof as well as preparation method and application thereof

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Alkyl Isocyanates via Manganese-Catalyzed C-H Activation for the Preparation of Substituted Ureas

Organic isocyanates are versatile intermediates that provide access to a wide range of functionalities. In this work, we have developed the first synthetic method for preparing aliphatic isocyanates via direct C-H activation. This method proceeds efficiently at room temperature and can be applied to functionalize secondary, tertiary, and benzylic C-H bonds with good yields and functional group compatibility. Moreover, the isocyanate products can be readily converted to substituted ureas without isolation, demonstrating the synthetic potential of the method. To study the reaction mechanism, we have synthesized and characterized a rare MnIV-NCO intermediate and demonstrated its ability to transfer the isocyanate moiety to alkyl radicals. Using EPR spectroscopy, we have directly observed a MnIV intermediate under catalytic conditions. Isocyanation of celestolide with a chiral manganese salen catalyst followed by trapping with aniline afforded the urea product in 51% enantiomeric excess. This represents the only example of an asymmetric synthesis of an organic urea via C-H activation. When combined with our DFT calculations, these results clearly demonstrate that the C-NCO bond was formed through capture of a substrate radical by a MnIV-NCO intermediate.

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