1-Boc-4-(4-aminobutyl)piperazine

Basic Information

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CAS Number

745048-07-1

Molecular Formula

C13H27N3O2

Molecular Weight

257.38 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 Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

353.8°C at 760 mmHg

Density

1.029

Flash Point

167.7°C

Refractive Index

1.491

SMILES

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CC(C)(C)OC(=O)N1CCN(CC1)CCCCN

InChI

InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-10-8-15(9-11-16)7-5-4-6-14/h4-11,14H2,1-3H3

InChIKey

ZVLALOSAKAKWTC-UHFFFAOYSA-N

LogP

1.2780000000000005

Topological Polar Surface Area

58.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

256

Synonyms & References

English

AS-5243
MFCD04038543
Tert-butyl 4-(4-aminobutyl)piperazine-1-carboxylate
745048-07-1
4-(4-Amino-butyl)-piperazine-1-carboxylic acid tert-butyl ester+
4-(4-Amino-butyl)-piperazine-1-carboxylic acid tert-butyl ester
SCHEMBL943825
AM804310
4-(4-Boc-1-piperazinyl)-1-butanamine
A9540
VEB04807
FT-0604294
CS-0038081
1-Boc-4-(4-aminobutyl)piperazine
DTXSID80403530
EN300-2006757
1-Piperazinecarboxylicacid, 4-(4-aminobutyl)-, 1,1-dimethylethyl ester
SY077201
ZVLALOSAKAKWTC-UHFFFAOYSA-N
AKOS009423655
tert-Butyl4-(4-aminobutyl)piperazine-1-carboxylate
A1-14406
4-(4-Amino-butyl)--1-Boc-piperazine
1-Piperazinecarboxylic acid, 4-(4-aminobutyl)-, 1,1-dimethylethyl ester
1-BOC-4-(4-AMINOBUTYL)PIPERAZINE
1-Boc-4-(4-Amino-butyl)-piperazine
tert-butyl 4-(4-aminobutyl)piperazine-1-carboxylate

MDL Number

MFCD04038543

FAQ

What are the physical and chemical properties of 1-Boc-4-(4-aminobutyl)piperazine (CAS: 745048-07-1)?

1-Boc-4-(4-aminobutyl)piperazine is a white crystalline solid with a molecular weight of approximately 264.4 g/mol. It has good solubility in common organic solvents such as DMF and DMSO. The compound is relatively stable under normal conditions but can undergo hydrolysis in basic conditions. Its pKa is around 20, indicating strong basicity.

How is 1-Boc-4-(4-aminobutyl)piperazine (CAS: 745048-07-1) typically synthesized?

1-Boc-4-(4-aminobutyl)piperazine is commonly synthesized via the coupling of 4-aminobutylpiperazine with tert-butyloxycarbonyl chloride in the presence of a base like triethylamine. The reaction typically involves the formation of a Boc-protected secondary amine. The process yields a high percentage of the desired product, with good purity that can be achieved through column chromatography.

What industries use 1-Boc-4-(4-aminobutyl)piperazine (CAS: 745048-07-1)?

1-Boc-4-(4-aminobutyl)piperazine finds application in pharmaceuticals, particularly in the development of new drugs and as a prodrug for various therapeutic uses. It is also used in polymer chemistry for synthesizing functional polymers and in sensor technology for its ability to bind to specific molecules.

What precautions should be taken when handling 1-Boc-4-(4-aminobutyl)piperazine (CAS: 745048-07-1)?

When handling 1-Boc-4-(4-aminobutyl)piperazine, it is important to wear appropriate personal protective equipment (PPE) including gloves and goggles. The compound should be stored in a cool, dry place away from heat sources and direct sunlight. In case of spill, it should be cleaned up using appropriate absorbent material and disposed of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.