154590-35-9

Basic information

• Product Name: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
• Synonyms: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline;4-(4-Amino-2-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;4-(4-Amino-2-fluorophenyl)-1-Boc-piperazine;3-Fluoro-4-[4-(Boc-amino)piperidino]aniline
• CAS NO: 154590-35-9
• Molecular Formula: C₁₅H₂₂FN₃O₂
• Molecular Weight: 295.36
• Mol File: 154590-35-9.mol
• Article Data: 28

Chemical Properties

• Boiling Point: 439.626 °C at 760 mmHg
• Flash Point: 219.678 °C
• Appearance: /
• Density: 1.198 g/cm³
• Vapor Pressure: 6.28E-08mmHg at 25°C
• Refractive Index: 1.554
• Storage Temp.: 2-8°C(protect from light)
• PKA: 6.67±0.10(Predicted)
• CAS DataBase Reference: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline(154590-35-9)
• EPA Substance Registry System: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline(154590-35-9)

Safety Data

• Hazardous Substances Data: 154590-35-9(Hazardous Substances Data)

Usage

Description

4-(4-Boc-piperazin-1-yl)-3-fluoroaniline is a chemical compound with the molecular formula C16H22FN3O2, belonging to the class of piperazine and aniline derivatives. It features a tert-butyloxycarbonyl (Boc) protecting group on the piperazine ring and a fluoro substituent on the aniline ring, which enhances its reactivity and selectivity in organic synthesis. 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline is widely used as a building block in medicinal chemistry for the synthesis of pharmaceutical compounds, particularly in the development of antipsychotic and antidepressant medications.

Uses

Used in Pharmaceutical Industry:
4-(4-Boc-piperazin-1-yl)-3-fluoroaniline is used as a building block for the synthesis of various pharmaceutical compounds due to its unique structural features and reactivity. The Boc protecting group allows for controlled reactions, while the fluoro substituent on the aniline ring contributes to the development of fluorine-containing drug molecules, which often exhibit improved pharmacokinetic and pharmacodynamic properties.
Used in Drug Discovery and Development:
4-(4-Boc-piperazin-1-yl)-3-fluoroaniline is employed as a key intermediate in the development of new drug candidates, particularly in the field of antipsychotic and antidepressant medications. Its unique structure and functional groups enable the design and synthesis of novel compounds with potential therapeutic benefits, offering new treatment options for patients suffering from mental health disorders.

InChI:InChI=1/C15H22FN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10H,6-9,17H2,1-3H3

Upstream product

• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 369-34-6 3,4-difluoronitrobenzene 
• 154590-33-7 1-(2-fluoro-4-nitrophenyl)piperazine 
• 154590-34-8 4-(2-fluoro-4-nitrophenyl)-piperazine-1-carboxylic acid tert butyl ester 

Downstream Products

• 1232030-57-7 tert-butyl 4-(4-(8-ethyl-7-oxo-6-phenyl-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)-2-fluorophenyl)piperazine-1-carboxylate 
• 174649-04-8 (R)-[N-3-[3-fluoro-4-[N-1-(4-carbobenzoxy)piperazinyl]-phenyl]-2-oxo-5-oxazolidinyl]methanol 
• 198410-25-2 (S)-N-(3-(3-fluoro-4-((N-4-carbobenzoxy)piperazin-1-yl)phenyl)-2-oxo-oxazolidin-5-yl)methylamine 
• 174649-03-7 N-carbobenzoxy-3-fluoro-4-(N-carbobenzoxypiperazin-1-yl)aniline 
• 174649-06-0 (S)-N-[[3-[3-fluoro-4-[N-1-(4-carbobenzoxy)piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide 
• 1281885-22-0 3-fluoro-4-piperazin-1-yl-phenylamine dihydrochloride 
• 1281885-30-0 (R)-benzyl 4-(2-fluoro-4-(2-oxo-5-(tosyloxymethyl)oxazolidin-3-yl)phenyl)piperazine-1-carboxylate 
• 239438-48-3 (R)-[N-3-[3-fluoro-4-[N-1-(4-carbobenzoxy)piperazinyl]-phenyl]-2-oxo-5-oxazolidinyl]methyl azide 
• 1282094-22-7 (S)-N-((3-(3-fluoro-4-(4-(3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yloxy)propyl)piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide hydrochloride 
• 1580002-73-8 (E)-tert-butyl 4-{2-fluoro-4-[3-(4-nitrophenyl)acrylamido]phenyl}piperazine-1-carboxylate 
• 1580002-65-8 (E)-tert-butyl 4-(4-cinnamamido-2-fluorophenyl)piperazine-1-carboxylate 
• 1580002-98-7 (E)-N-{4-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl}cinnamamide 
• 1580003-15-1 (E)-N-[3-fluoro-4-(4-isonicotinoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)acrylamide 
• 1580003-12-8 (E)-N-[3-fluoro-4-(4-isonicotinoylpiperazin-1-yl)phenyl]cinnamamide 

Relevant articles and documents

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