2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid

2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid - Names and Identifiers

Name	2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid
Synonyms	2-(4-(tert-Butoxycarbonyl) 1-BOC-4-(2-CARBOXYPHENYL)PIPERAZINE 1-(2-carboxyphenyl)-4-Boc piperazine 4-(2-CARBOXYPHENYL)PIPERAZINE, 1-BOC PROTECTED 2-[4-(TERT-BUTOXYCARBONYL)PIPERAZINO]BENZOIC ACID 2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid 2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]BENZOIC ACID 4-(2-Carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 1-Piperazinecarboxylic acid, 4-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester 4-(2-Carboxyphenyl)piperazine, N1-BOC protected, tert-Butyl 4-(2-carboxyphenyl)piperazine-1-carboxylate
CAS	444582-90-5
InChI	InChI=1/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)

2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid - Physico-chemical Properties

Molecular Formula	C16H22N2O4
Molar Mass	306.36
Density	1.213g/cm³
Melting Point	165 °C
Boling Point	458.9°C at 760 mmHg
Flash Point	231.4°C
Vapor Presure	3.23E-09mmHg at 25°C
Storage Condition	2-8℃
Refractive Index	1.561

2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	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	Irritant

2-[4-(tert-butoxycarbonyl)piperazino]benzoic acid - Introduction

2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is an organic compound with the chemical formula C19H25N3O4. It is a white solid and is often used as a protecting group in organic synthesis. It has the following properties:

1. melting point: about 150-152 ℃
2. Boiling point and vapor pressure: no relevant data yet
3. Solubility: Soluble in common organic solvents such as dimethyl sulfoxide, dichloromethane and methanol, slightly soluble in ethanol and water.

The main use of this compound is as a protecting group in organic synthesis. By introducing a BOC protecting group in the target compound, sensitive functional groups can be protected during the reaction to prevent non-specific reactions with other reactants. After completion of the desired reaction, the BOC protecting group can be removed by an appropriate method.

2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is usually synthesized from phthalic anhydride. First, benzoic anhydride is reacted with nitrophenylpyruvate to form 4-(2-nitrophenyl) piperazine. Then, by aminolysis, 4-(2-aminophenyl) piperidine is obtained. Finally, reaction with t-butoxycanabeoyl chloride (BOC-Cl) gave 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid.

Regarding safety information, 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid is generally a compound with low toxicity, but it still needs to be handled with caution. Wear appropriate personal protective equipment, including laboratory glasses, gloves and protective clothing, when using or handling the compound. Avoid inhalation, skin contact and ingestion. During storage and handling, attention should be paid to prevent the danger of fire and explosion, and avoid contact with oxidants and combustibles. In the case of accidental spills, appropriate emergency measures should be taken to deal with and clean up. Disposal shall be in accordance with local regulations. Before using this compound, it is recommended to consult the relevant safety data sheet and operating instructions.

Last Update：2024-04-10 22:29:15