4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoate

4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoate - Names and Identifiers

Name	4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid
Synonyms	1-(4-BOC-PIPERAZIN-1-YL)-BENZOIC ACID 1-BOC-4-(4-CARBOXY-PHENYL)-PIPERAZINE 4-(4-TERT-BUTOXYCARBONYLPIPERAZINE)BENZOIC ACID 4-(4-Carboxyphenyl)piperazine, N1-BOC protected 4-[4-(TERT-BUTOXYCARBONYL)PIPERAZINO]BENZOIC ACID 4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoate 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid 4-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)BENZOIC ACID 1-(4-CARBOXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER 4-(4-CARBOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS	162046-66-4
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

4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoate - Physico-chemical Properties

Molecular Formula	C16H22N2O4
Molar Mass	306.36
Density	1.213±0.06 g/cm3(Predicted)
Melting Point	50 °C
Boling Point	476.9±40.0 °C(Predicted)
Flash Point	242.2°C
Vapor Presure	6.65E-10mmHg at 25°C
pKa	5.12±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature

4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoate - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note	Harmful

4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoate - Introduction

Nature:
4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid is a colorless or slightly yellow crystalline solid. It is insoluble in water at room temperature, but can be dissolved in some organic solvents. It will decompose under the action of high temperature and light.

Use:
4-(4-
Carboxyphenyl) piperazine -1-carboxylic acid tert-butyl ester has a variety of applications in the chemical and pharmaceutical fields. It can be used as a pharmaceutical intermediate for the synthesis of some drugs. In addition, it can also be used as a catalyst for organic synthesis reactions, or for the synthesis of molecules with specific functions.

Method:
The synthesis method of 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid is relatively complicated and generally needs to be obtained through multi-step reactions. The synthetic route of the compound usually includes the reaction of terephthaloyl chloride and aniline, followed by carboxylation, and finally the target product is obtained.

Safety Information:
4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid No specific toxicity or hazard data are currently available. However, as a laboratory reagent or industrial chemical product, it should be handled in strict accordance with safe operating procedures. Wear appropriate protective equipment and avoid contact with skin, eyes and mouth. During storage and handling, care should be taken to avoid contact with oxidants and strong acids to prevent possible dangerous reactions.

Last Update：2024-04-09 20:52:54