162046-66-4

Basic information

• Product Name: 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid
• Synonyms: 1-BOC-4-(4-CARBOXY-PHENYL)-PIPERAZINE;1-(4-BOC-PIPERAZIN-1-YL)-BENZOIC ACID;1-(4-CARBOXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER;4-[4-(TERT-BUTOXYCARBONYL)PIPERAZINO]BENZOIC ACID;4-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)BENZOIC ACID;4-(4-TERT-BUTOXYCARBONYLPIPERAZINE)BENZOIC ACID;4-(4-CARBOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;BUTTPARK 98\06-97
• CAS NO: 162046-66-4
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.36
• Product Categories: API intermediates;piperazines;Building Blocks;C16 to C29;Chemical Synthesis;Heterocyclic Building Blocks;New Products for Chemical Synthesis
• Mol File: 162046-66-4.mol
• Article Data: 16

Chemical Properties

• Melting Point: 50 °C
• Boiling Point: 476.9 °C at 760 mmHg
• Flash Point: 242.2 °C
• Appearance: /
• Density: 1.213 g/cm³
• Vapor Pressure: 6.65E-10mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 5.12±0.10(Predicted)
• CAS DataBase Reference: 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid(162046-66-4)
• EPA Substance Registry System: 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid(162046-66-4)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39
• Hazardous Substances Data: 162046-66-4(Hazardous Substances Data)

Usage

General Description

4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid is a chemical compound with a molecular formula C18H24N204 and a molar mass of 324.39 g/mol. It is a derivative of benzoic acid that features a piperazine ring and a tert-butoxycarbonyl group. 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid is commonly used in the field of medicinal chemistry as a building block for the synthesis of various pharmaceuticals and bioactive molecules. The tert-butoxycarbonyl (t-Boc) protecting group is often used to temporarily block the reactive amine group in organic synthesis, allowing for selective functionalization of other parts of the molecule. Additionally, the piperazine ring in the structure of this compound makes it a potential candidate for drug design and development, particularly in the field of central nervous system disorders and psychiatric medications.

InChI:InChI=1/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)/p-1

Upstream product

• 234082-33-8 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 80518-57-6 ethyl 4-(piperazin-1-yl)benzoate 
• 158985-36-5 4-(4-methoxycarbonyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 
• 163210-97-7 methyl 4-(piperazin-1-yl)benzoate 
• 619-45-4 4-methoxycarbonyl aniline 
• 403-33-8 methyl 4-flurobenzoate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 619-42-1 4-methoxycarbonylphenyl bromide 

Downstream Products

• 406231-38-7 4-{4-[3-nitro-4-(2-phenylsulfanyl-ethylamino)-benzenesulfonylaminocarbonyl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester 
• 926933-96-2 (R)-tert-butyl 4-(4-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonylcarbamoyl)phenyl)piperazine-1-carboxylate 
• 406233-75-8 3-nitro-4-((2-(phenylthio)ethyl)amino)-N-(4-piperazin-1-ylbenzoyl)benzenesulfonamide 
• 163209-37-8 (S)-2-Benzenesulfonylamino-3-(4-piperazin-1-yl-benzoylamino)-propionic acid 
• 196203-06-2 N-4-bromo-phenylsulfonyl-4-[4-(4-tert-butyloxycarbonylpiperazin-1-yl)-phenylamino-carbonyl]-aniline 
• 158985-37-6 1-hydroxymethyl-4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzene 

Relevant articles and documents

Protein degradation targeting chimera for degrading androgen receptor

The invention relates to a novel difunctional molecule compound based on VHL ligand induction and application of the difunctional molecule compound in synthesis of the compounds and pharmaceutical compositions thereof. The compound is shown as a formula I. The compound can selectively induce AR protein degradation and can be used for treating cancers such as prostatic cancer and breast cancer.

Benzothiazole compounds and medical application

The invention discloses a benzothiazole compound and medical application thereof, particularly relates to a benzothiazole compound shown as a formula I and medical application thereof, and especiallyrelates to application of the benzothiazole compound serving as a USP7C-terminal structural domain regulating agent in medicines for preventing and treating myelodysplastic syndromes and malignant tumors. The benzothiazole compound shown in the formula I or the pharmaceutically acceptable salt or solvate of the benzothiazole compound has strong binding force with USP7C-terminal protein; and the protein level of DNMT1 in tumor cells can be reduced, so that the compound can be applied to the preparation of USP7 regulators, has a remarkable anti-tumor cell proliferation effect, and can be used for preparing medicines for preventing or treating myelodysplastic syndrome and malignant tumors.

Discovery of Substituted 1H-Pyrazolo[3,4-b]pyridine Derivatives as Potent and Selective FGFR Kinase Inhibitors

Fibroblast growth factor receptors (FGFRs) are important targets for cancer therapy. Herein, we describe the design, synthesis, and biological evaluation of a novel series of 1H-pyrazolo[3,4-b]pyridine derivatives as potent and selective FGFR kinase inhibitors. On the basis of its excellent in vitro potency and favorable pharmacokinetic properties, compound 7n was selected for in vivo evaluation and showed significant antitumor activity in a FGFR1-driven H1581 xenograft model. These results indicated that 7n would be a promising candidate for further drug development.