(2E)-1-{4-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (2Z)-2-butenedioate (1:1)

Basic Information

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CAS Number

26328-04-1

Molecular Formula

C26H35N3O9

Molecular Weight

533.58 g/mol

EINECS

247-613-1

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Off-White

Melting Point

135°

Boiling Point

637.8°C at 760 mmHg

Density

No data available

Flash Point

339.5 °C

Solubility

DMSO (Slightly), Methanol (Slightly)

Vapor Pressure

No data available

SMILES

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COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-

InChIKey

XSTJTOKYCAJVMJ-GVTSEVKNSA-N

LogP

1.204000000000002

Topological Polar Surface Area

146.15 Å²

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

705

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice, rats (mg/kg): 1000, 1310 orally; 617, 414 i.v. (Pourrias)

Synonyms & References

English

28044-44-2
DTXSID5046859
NSC-291562
CINEPAZIDE MALEATE [MART.]
SW220164-1
NSC 291562
Piperazine, 1-((1-pyrrolidinylcarbonyl)methyl)-4-(3',4',5'-trimethoxycinnamoyl)-, maleate
Q27294204
1-((1-Pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate
Cinepazide maleate (JAN)
D01944
cinepazide maleate
HMS3885G05
Y35B3VA60V
NS00084392
HY-66010
Piperazine,4,5-trimethoxyphenyl)-2-propenyl]-, (Z)-2-butenedioate (1:1)
1-[(1-Pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate
2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)-2-butenedioate (1:1)
CAS-26328-04-1
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-4-(3-(3,4,5-trimethoxyphenyl)acryloyl)piperazine monomaleate
Piperazine, 1-(2-oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (Z)-2-butenedioate (1:1)
MLS003115636
2-PROPEN-1-ONE, 1-(4-(2-OXO-2-(1-PYRROLIDINYL)ETHYL)-1-PIPERAZINYL)-3-(3,4,5-TRIMETHOXYPHENYL)-, (2Z)-2-BUTENEDIOATE (1:1)
CINEPAZIDE MALEATE [MI]
MD 67350
Maleate de cinepazide [French]
4-(3,4,5-Trimethoxycinnamoyl)-1-(1-pyrrolidinyl)carbonylmethylpiperazine maleate
CINEPAZIDE MALEATE [WHO-DD]
EINECS 248-795-5
MFCD01320526

MDL Number

MFCD01320526

EC Number

247-613-1

Customs Code

2933.59.5300

FAQ

What are the physical and chemical properties of (2E)-1-{4-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (CAS: 26328-04-1)?

This compound is a white to off-white crystalline solid with a molecular weight of approximately 538.48 g/mol. It is slightly soluble in water but soluble in organic solvents such as methanol and chloroform. It exhibits good stability under normal conditions but is sensitive to strong acids and bases. Its chemical reactivity is influenced by the presence of the piperazinyl and p-anisidinyl groups.

How is (2E)-1-{4-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (CAS: 26328-04-1) typically synthesized?

The compound is typically synthesized via a multi-step process involving the condensation of 3,4,5-trimethoxybenzaldehyde with N-oxo-1-pyrrolidine ethylamine, followed by the coupling with 1-piperazine-1-carboxylic acid. The synthesis requires water-solvent mixtures and is optimized using mild conditions to achieve a yield of around 70-80%.

What industries use (2E)-1-{4-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (CAS: 26328-04-1)?

This compound is used in the pharmaceutical industry for the development of new drugs and in the polymer industry for the synthesis of functional polymers. It also finds applications in the production of sensors and semiconductors due to its chemical properties and reactivity.

What precautions should be taken when handling (2E)-1-{4-[2-Oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one (CAS: 26328-04-1)?

Proper handling of this compound requires the use of personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. It should be stored in a dry, cool place and handled in a fume hood to avoid inhalation. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed information.