142009-99-2

Basic information

• Product Name: 4-Benzylaminocyclohexanone
• Synonyms: 4-BENZYLAMINOCYCLOHEXANONE;4-(BENZYLAMINO)CYCLOHEXANONE HCL;-benzylaminocyclohexanone;N-Benzyl-4-amino-cyclohexanone;4-(benzylaMino)cyclohexan-1-one;Cyclohexanone,4-[(phenylMethyl)aMino]-;4-[(Phenylmethyl)amino]cyclohexanone
• CAS NO: 142009-99-2
• Molecular Formula: C₁₃H₁₇NO
• Molecular Weight: 203.28
• Mol File: 142009-99-2.mol

Chemical Properties

• Boiling Point: 337.539 °C at 760 mmHg
• Flash Point: 132.544 °C
• Appearance: /
• Density: 1.06 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: 2-8°C
• PKA: 8.97±0.20(Predicted)
• CAS DataBase Reference: 4-Benzylaminocyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Benzylaminocyclohexanone(142009-99-2)
• EPA Substance Registry System: 4-Benzylaminocyclohexanone(142009-99-2)

Safety Data

• Hazardous Substances Data: 142009-99-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Benzylaminocyclohexanone is used as a building block for the synthesis of various pharmaceuticals, leveraging its nucleophilic properties to facilitate the creation of new medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Benzylaminocyclohexanone serves as a key component in the development of new agrochemicals, contributing to the advancement of crop protection and management solutions.
Used in Dye Industry:
4-Benzylaminocyclohexanone is utilized as a precursor in the production of dyes, taking advantage of its chemical structure to create a range of colorants for various applications.
Used in Organic Synthesis:
4-Benzylaminocyclohexanone is used as a versatile intermediate in organic synthesis, enabling the formation of diverse bioactive compounds for research and commercial purposes.
Used in Research and Drug Discovery:
4-Benzylaminocyclohexanone is employed as a subject of study in organic chemistry and drug discovery, where its unique properties and structure are explored for potential applications in new chemical entities and therapeutic agents.

InChI:InChI=1/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2

Upstream product

• 131511-13-2 4-(N-benzylamino)cyclohexanone ethylene acetal 
• 4746-97-8 cyclohexanedione monoethylene ketal 
• 100-46-9 benzylamine 
• 230287-23-7 N-(1,4-dioxaspiro[4.5]decyl-7-idene)benzylamine 
• 27489-62-9 trans-4-hydroxycyclohexylamine 
• 162338-03-6 N-benzyl-trans-4-aminocyclohexanol 
• 100-52-7 benzaldehyde 
• 248585-29-7 trans-4-(benzylidene-amino)-cyclohexanol 
• 3287-99-8 benzylamine hydrochloride 

Downstream Products

• 172947-72-7 (4-Benzylamino-cyclohexylidene)-acetic acid ethyl ester 
• 290301-49-4 4-[N-benzyl-N-(Z)-(3-iodo-2-propenyl)amino]cyclohexanone 
• 290301-46-1 4-[N-benzyl-N-(E)-(2-iodo-2-butenyl)amino]cyclohexanone 
• 192373-17-4 8-(Benzyl-tert-butoxycarbonyl-amino)-2,4-dioxo-1,3-diaza-spiro[4.5]decane-1,3-dicarboxylic acid di-tert-butyl ester 
• 192373-28-7 1-Amino-4-(benzyl-tert-butoxycarbonyl-amino)-cyclohexanecarboxylic acid 
• 422507-39-9 4-{N-benzyl-N-[2-(phenylselanyl)-2-oxoethyl]amino}cyclohex-1-enecarbonitrile 
• 187807-27-8 4-{N-benzyl-N-[3-(methylselanyl)-3-oxopropyl]aminocyclohex}-1-enecarbonitrile 
• 422507-26-4 4-[N-benzyl-N-(2-methoxycarbonylethyl)amino]-1-cyclohexenecarbonitrile 
• 422506-79-4 4-[N-benzyl-N-(methoxycarbonylmethyl)amino]cyclohex-1-enecarbonitrile 
• 187807-20-1 4-{N-benzyl-N-[2-(methylselanyl)-2-oxoethyl]amino}cyclohex-1-enecarbonitrile 
• 290301-47-2 2-benzyl-4-[(Z)-ethylidene]-2-azabicyclo[3.3.1]nonan-6-one 

Relevant articles and documents

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Highly chemoselective aerobic oxidation of amino alcohols into amino carbonyl compounds

The direct oxidation of unprotected amino alcohols to their corresponding amino carbonyl compounds has often posed serious challenges in organic synthesis and has constrained chemists to adopting an indirect route, such as a protection/deprotection strategy, to attain their goal. Described herein is a highly chemoselective aerobic oxidation of unprotected amino alcohols to their amino carbonyl compounds in which 2-azaadamantane N-oxyl (AZADO)/copper catalysis is used. The catalytic system developed leads to the alcohol-selective oxidation of various unprotected amino alcohols, carrying a primary, secondary, or tertiary amino group, in good to high yield at ambient temperature with exposure to air, thus offering flexibility in the synthesis of nitrogen-containing compounds. Strong as an ox: The highly chemoselective aerobic oxidation of unprotected amino alcohols to their corresponding amino carbonyl compounds has been achieved by using 2-azaadamantane N-oxyl (AZADO)/copper catalysis. This catalytic system oxidizes not only alcohols with tertiary amino groups but also those with secondary and primary amines in good to high yield at ambient temperature in air. bpy=2,2-bipyridyl, DMAP=4-(N,N-dimethylamino)pyridine.

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Reaction of [2,3,4,5-Ph4(η5-C4COH) Ru(CO)2H] (2) with different imines afforded ruthenium amine complexes at low temperatures. At higher temperatures in the presence of 2, the complexes decomposed to give [RUsu

Nitrogen heterocycles by palladium-catalyzed cyclization of amino-tethered vinyl halides and ketone enolates

The scope and limitations of Pd(0)-catalyzed intramolecular coupling of amino-tethered vinyl halides and ketone enolates as a methodology for the synthesis of nitrogen heterocycles have been studied. This reaction constitutes a synthetic procedure to obta

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A new procedure for the synthesis of 2-azabicyclo[3.3.1]nonanes by intramolecular carboradical cyclization of 4-(trichloroacetamido)cyclohexenes substituted with an electron withdrawing substituent tester or nitrile) is described. The procedure allows the preparation of synthetically interesting azabicyclos 14 and 15 in nearly 70% yield.

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