1,4-Bis[(4-methylphenyl)sulfonyl]piperazine

Basic Information

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CAS Number

17046-84-3

Molecular Formula

C18H22N2O4S2

Molecular Weight

394.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H22N2O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3

InChIKey

LMIXCJFVEQOWSQ-UHFFFAOYSA-N

LogP

1.99864

Topological Polar Surface Area

74.76 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

597

Synonyms & References

English

SCHEMBL10724066
1,4-Bis[(4-methylphenyl)sulfonyl]piperazine #
AKOS000668822
Z45409801
CHEMBL596080
Oprea1_429495
CS-0316425
1,4-Bis[(4-methylphenyl)sulfonyl]piperazine
NSC-37244
Piperazine,4-bis[(4-methylphenyl)sulfonyl]-
InChI=1/C18H22N2O4S2/c1-15-3-7-17(8-4-15)25(21,22)19-11-13-20(14-12-19)26(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
BDBM50305741
HMS1681F10
Piperazine, 1,4-bis[(4-methylphenyl)sulfonyl]-
NSC37244
LMIXCJFVEQOWSQ-UHFFFAOYSA-
DTXSID00284444
N,N'-BIS(P-TOLUENESULFONYL)PIPERAZINE
LMIXCJFVEQOWSQ-UHFFFAOYSA-N
1,4-ditosylpiperazine
17046-84-3
Oprea1_620190
1,4-bis(4-methylbenzenesulfonyl)piperazine
1,4-bis-(4-methylphenyl)sulfonylpiperazine
1,4-Ditosylpiperazine
Piperazine,1,4-bis[(4-methylphenyl)sulfonyl]-
Nsc37244

MDL Number

MFCD00047400

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3)?

1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3) has a molecular weight of approximately 416.47 g/mol. It is a white crystalline solid with poor water solubility. The compound is reactive towards nucleophiles and can undergo sulfonamide formation. It is stable under normal conditions but should be handled with care to avoid moisture exposure.

How is 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3) typically synthesized?

1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3) can be synthesized through a multi-step process involving sulfonylation of piperazine with 4-methylbenzenesulfonyl chloride. Commonly used catalysts include phosphorus oxychloride, and the process proceeds with high selectivity, yielding a product with good purity.

What industries use 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3)?

1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3) is used in various industries, particularly in pharmaceuticals for its potential as a pharmaceutical intermediate. It is also utilized in polymers for its stable structure and in sensors due to its unique chemical properties. Its functionality in semiconductors is also being explored.

What precautions should be taken when handling 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3)?

When handling 1,4-Bis[(4-methylphenyl)sulfonyl]piperazine (CAS: 17046-84-3), safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The material should be stored in a closed container to prevent moisture absorption. Fume hood use is recommended during handling. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.