2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

193902-64-6

Molecular Formula

C15H24ClN3O2

Molecular Weight

313.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

165-169°C

SMILES

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CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N.Cl.Cl

InChI

InChI=1S/C15H23N3O2.ClH/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13;/h4-7H,8-11,16H2,1-3H3;1H

InChIKey

LWBDYWNMRYIJNM-UHFFFAOYSA-N

LogP

2.7477000000000005

Topological Polar Surface Area

58.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

325

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate 2HCl
SCHEMBL4934215
CS-0340403
1187930-99-9
DTXSID70671948
SB31391
1-boc-4-(4-aminophenyl)piperazine 2HCl
D79776
1-Piperazinecarboxylicacid,4-(4-aminophenyl)-,1,1-dimethylethyl ester,hydrochloride(1:1)
BS-42207
193902-64-6
MFCD06804521
AB30309
C15H25Cl2N3O2
tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;dihydrochloride
1-BOC-4-(4-AMINO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE
A892852
AKOS016004474
1-Boc-4-(4-Aminophenyl)piperazine dihydrochloride
tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate--hydrogen chloride (1/2)
TERT-BUTYL 4-(4-AMINOPHENYL)PIPERAZINE-1-CARBOXYLATE DIHYDROCHLORIDE
FT-0646981
1-Boc-4-(4-Aminophenyl)piperazine hydrochloride
1-Piperazinecarboxylicacid, 4-(4-aminophenyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate,dihydrochloride
1-t-butoxycarbonyl-4,4'-aminophenylpiperazine hydrochloride
BESTIPHARMA 502-119
tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate hydrochloride
4-(4-Aminophenyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester monohydrochloride

MDL Number

MFCD06804521

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride (CAS: 193902-64-6)?

2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride is a crystalline solid with a molecular weight of approximately 381.85 g/mol. It has a solubility of about 100 mg/mL in water and is moderately soluble in organic solvents like methanol and ethanol. This compound is known for its reactivity in ester and amide formation, making it useful in organic synthesis and pharmaceutical applications.

How is 2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride (CAS: 193902-64-6) typically synthesized?

2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride is typically synthesized by the condensation of 4-(4-aminophenyl)-1-piperazinecarboxylic acid with 2-methyl-2-propanol in the presence of a catalytic amount of 4-dimethylaminopyridine (DMAP). The reaction is carried out under mild conditions and proceeds with good yield and high selectivity.

What industries use 2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride (CAS: 193902-64-6)?

2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs) due to its biological activity. It is also explored in the polymer industry for its potential application in the development of functional polymers and in the sensor industry for its sensitivity to certain analytes.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride (CAS: 193902-64-6)?

When handling 2-Methyl-2-propanyl 4-(4-aminophenyl)-1-piperazinecarboxylate hydrochloride, it is important to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or in a fume hood to minimize inhalation risks. In case of spills, use appropriate spill containment materials and follow the Material Safety Data Sheet (MSDS) for disposal instructions. Always refer to the SDS for detailed safety information.