193818-13-2

Basic information

• Product Name: 3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid
• Synonyms: 4-(3-carboxyphenyl)-1-Piperazinecarboxylic acid 1-(1,1-dimethylethyl)ester;1-Boc-4-(3-carboxyphenyl)-piperazine;tert-Butyl 4-(3-carboxyphenyl)piperazine-1-carboxylate;1-(3-carboxyphenyl)-4-Boc piperazine;3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid;3-(4-Boc-piperazin-1-yl)benzoic acid;3-(4-Boc-1-piperazinyl)benzoic Acid
• CAS NO: 193818-13-2
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.36
• Mol File: 193818-13-2.mol

Chemical Properties

• Boiling Point: 434.5 °C at 760 mmHg
• Flash Point: 216.6 °C
• Appearance: /
• Density: 1.213 g/cm³
• Refractive Index: 1.561
• PKA: 4.47±0.10(Predicted)
• CAS DataBase Reference: 3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid(193818-13-2)
• EPA Substance Registry System: 3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid(193818-13-2)

Safety Data

• Hazardous Substances Data: 193818-13-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
3-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is used as an intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into the structure of various drugs, enhancing their efficacy and selectivity.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is used as a building block for designing new molecules with potential therapeutic properties, capitalizing on its capacity to modulate biological activity.
Used in Drug Development:
3-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is utilized in drug development as a key component in creating prototypes of new drugs, allowing researchers to explore its interactions with biological targets and assess its potential as a therapeutic agent.
Used in Organic Synthesis:
In organic synthesis, 3-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is used as a reactant or a protecting group, taking advantage of the tBoc group to facilitate selective reactions and synthesize complex organic molecules with desired properties.
Used in Biologically Active Compounds Synthesis:
3-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is employed in the synthesis of biologically active compounds, leveraging its structural features to create molecules that can interact with biological systems and potentially exhibit pharmacological effects.

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

Upstream product

• 179003-10-2 tert-butyl 4-(3-(methoxycarbonyl)phenyl)-piperazine-1-carboxylate 
• 4518-10-9 Methyl 3-aminobenzoate 
• 179003-08-8 3-piperazine-4-yl-benzoic acid methyl ester 
• 261925-94-4 tert-butyl 4-(3-(ethoxycarbonyl)-phenyl)piperazine-1-carboxylate 

Downstream Products

• 1160833-83-9 4-[3-(2-amino-phenylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester 
• 1149367-43-0 C₂₂H₂₇N₃O₄ 
• 756753-05-6 tert-butyl 4-(3-methylcarbamoylphenyl)piperazine-1-carboxylate 
• 1447332-02-6 3-{6-[3-(4-boc-piperazin-1-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}propionic acid 
• 1447332-14-0 3-{6-[3-(4-boc-piperazin-1-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}butyric acid 
• 1447330-37-1 3-[1-oxo-6-(3-piperazinium-1-yl-benzoylamino)-1,3-dihydroisoindol-2-yl]propionic acid trifluoroacetate 
• 1447330-50-8 3-[1-oxo-6-(3-piperazinium-4-yl-benzoylamino)-1,3-dihydroisoindol-2-yl]butyric acid chloride 
• 1447331-52-3 3-{6-[3-(4-boc-piperazin-1-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}propionic acid methyl ester 
• 1447331-70-5 3-{6-[3-(4-boc-piperazin-1-yl)benzoylamino]-1-oxo-1,3-dihydroisoindol-2-yl}butyric acid methyl ester 
• 1416508-07-0 4-{3-[(R)-(1,2,3,4-tetrahydro-naphthalen-1-yl)carbamoyl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester 
• 1416508-08-1 3-piperazin-1-yl-N-(R)-1,2,3,4-tetrahydro-naphthalen-1-yl-benzamide 
• 1416508-04-7 3-{4-[2-(3,5-bis-difluoromethyl-pyrazol-1-yl)-acetyl]-piperazin-1-yl}-N-(R)-1,2,3,4-tetrahydro-naphthalen-1-yl-benzamide 
• 1035269-59-0 N-[5-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-3-yl]-3-piperazin-1-yl-benzamide 

Relevant articles and documents

Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrin αiIbβ3

A series of novel RGD mimetics containing phthalimidine fragment was designed and synthesized. Their antiaggregative activity determined by Born's method was shown to be due to inhibition of fibrinogen binding to αIIbβ3. Molecular docking of RGD mimetics to αIIbβ3 receptor showed the key interactions in this complex, and also some correlations have been observed between values of biological activity and docking scores. The single crystal X-ray data were obtained for five mimetics.

SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS

Substituted indazole derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may

Synthesis and SAR of piperazinyl-N-phenylbenzamides as inhibitors of hepatitis C virus RNA replication in cell culture

The RNA replication machinery of HCV is a multi-subunit membrane-associated complex. NS5A has emerged as an active component of HCV replicase, possibly involved in regulation of viral replication and resistance to the antiviral effect of interferon. We report here substituted piperazinyl-N-(aryl)benzamides as potent inhibitors of HCV replication exerted via modulation of the dimerization of NS5A.

HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF

Heterocyclic compounds that modulate the hedgehog signaling pathway, pharmaceutical composition thereof and their therapeutic applications.