170017-73-9

Basic information

• Product Name: 1-TERT-BUTOXYCARBONYL-4-(2-NITROPHENYL)PIPERAZINE
• Synonyms: TERT-BUTYL 4-(2-NITROPHENYL)PIPERAZINE-1-CARBOXYLATE;1-TERT-BUTOXYCARBONYL-4-(2-NITROPHENYL)PIPERAZINE;1-Boc-4-(2-nitrophenyl)piperazine
• CAS NO: 170017-73-9
• Molecular Formula: C₁₅H₂₁N₃O₄
• Molecular Weight: 307.34
• Mol File: 170017-73-9.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 436.457°C at 760 mmHg
• Flash Point: 217.762°C
• Appearance: /Solid
• Density: 1.221g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.56
• PKA: 1.28±0.10(Predicted)
• CAS DataBase Reference: 1-TERT-BUTOXYCARBONYL-4-(2-NITROPHENYL)PIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TERT-BUTOXYCARBONYL-4-(2-NITROPHENYL)PIPERAZINE(170017-73-9)
• EPA Substance Registry System: 1-TERT-BUTOXYCARBONYL-4-(2-NITROPHENYL)PIPERAZINE(170017-73-9)

Safety Data

• Hazardous Substances Data: 170017-73-9(Hazardous Substances Data)

Usage

General Description

1-Tert-Butoxycarbonyl-4-(2-nitrophenyl)piperazine, also known as Boc-piperazine, is a chemical compound used primarily in organic synthesis and pharmaceutical research. It is a derivative of piperazine with a tert-butoxycarbonyl (Boc) protecting group and a nitrophenyl substitution. Boc-piperazine is commonly utilized as a building block in the development of various pharmaceuticals, particularly those aimed at modulating neurotransmitter function in the central nervous system. It is also used in the synthesis of potential anti-cancer and antimicrobial agents. The compound is known for its stability and ease of handling, making it a valuable tool in organic chemistry and drug discovery.

InChI:InChI=1/C15H21N3O4/c1-15(2,3)22-14(19)17-10-8-16(9-11-17)12-6-4-5-7-13(12)18(20)21/h4-7H,8-11H2,1-3H3

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 59084-06-9 1-(2-nitrophenyl)piperazine 
• 1493-27-2 ortho-nitrofluorobenzene 
• 88-73-3 2-Chloronitrobenzene 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 

Downstream Products

• 494773-35-2 4-(2-bromophenyl)piperazine-1-carboxylic acid tert-butyl ester 
• 960203-42-3 4-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester 
• 338949-39-6 tert-butyl 1,2,4a,4-tetrahydro-4H,6H-pyrazino[1,2-a]quinoxaline-3-carboxylate 

Relevant articles and documents

Synthesis and structure-activity relationships of new 2-phenoxybenzamides with antiplasmodial activity

The 2-phenoxybenzamide 1 from the Medicines for Malaria Venture Malaria Box Project has shown promising multi-stage activity against different strains of P. falciparum. It was successfully synthesized via a retrosynthetic approach. Subsequently, twenty-one new derivatives were prepared and tested for their in vitro activity against blood stages of the NF54 strain of P. falciparum. Several insights into structure-activity relationships were revealed. The antiplasmodial activity and cytotoxicity of compounds strongly depended on the substitution pattern of the anilino partial structure as well as on the size of substituents. The diaryl ether partial structure had further impacts on the activity. Additionally, several physicochemical and pharmacokinetic parameters were calculated (log P, log D7.4 and ligand efficiency) or determined experimentally (passive permeability and CYP3A4 inhibition). The tert-butyl-4-{4-[2-(4-fluorophenoxy)-3-(trifluoromethyl)benzamido]phenyl}piperazine-1-carboxylate possesses high antiplasmodial activity against P. falciparum NF54 (PfNF54 IC50 = 0.2690 μM) and very low cytotoxicity (L-6 cells IC50 = 124.0 μM) resulting in an excellent selectivity index of 460. Compared to the lead structure 1 the antiplasmodial activity was improved as well as the physicochemical and some pharmacokinetic parameters.

A class of GPR40 agonist compounds with amide structure, and uses thereof

The present invention relates to a class of amide compounds with a novel structure, and a pharmaceutical composition thereof, wherein the structure of the amide compound is represented by a general formula (I). According to the present invention, the amide compound (I) can regulate GPR40 activity, and can be used for GPR40 activity related diseases such as diabetes and metabolic syndrome. The formula I is defined in the specification.

COMPOUND SUITABLE FOR DETECTION OF VESICULAR ACETYLCHOLINE TRANSPORTER

PROBLEM TO BE SOLVED: To provide a compound suitable for detection of vesicular acetylcholine transporter which can be also used as a compound labeled in PET method. SOLUTION: The present invention provides a compound represented by formula (I), where Rs