1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate

Basic Information

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CAS Number

761443-69-0

Molecular Formula

C25H34N6O5

Molecular Weight

498.58 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 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

SMILES

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CCOC(=O)N1C2=C(CN(C2)C(=O)OC(C)(C)C)C(=N1)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H34N6O5/c1-6-35-24(34)31-20-16-30(23(33)36-25(2,3)4)15-19(20)21(27-31)26-22(32)17-7-9-18(10-8-17)29-13-11-28(5)12-14-29/h7-10H,6,11-16H2,1-5H3,(H,26,27,32)

InChIKey

YLYRHIITRIEACU-UHFFFAOYSA-N

LogP

3.142500000000001

Topological Polar Surface Area

109.24 Å²

Hydrogen Bond Donor/Acceptor

1 / 11

Complexity

803

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

A915113
5-(tert-Butyl)1-ethyl3-((4-(4-methylpiperazin-1-yl)benzoyl)imino)-2,3,4,6-tetrahydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate
DTXSID60459676
5-O-tert-butyl 1-O-ethyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate
MFCD11053614
AS-37695
CS-0172360
YLYRHIITRIEACU-UHFFFAOYSA-N
SCHEMBL2921535
AKOS027327675
1-Ethyloxycarbonyl-3-[4-(4-Methyl-piperazin-1-yl)-benzoylaMino]-5-Boc-4,6-dihydr
3-[[4-(4-Methylpiperazin-1-yl)benzoyl]amino]-1-ethoxycarbonyl-5-BOC-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
5-tert-butyl 1-ethyl 3-(4-(4-methylpiperazin-1-yl)benzamido)pyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate
BCP18030
5-tert-Butyl 1-ethyl 3-[4-(4-methylpiperazin-1-yl)benzamido]-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate
5-tert-butyl1-ethyl3-(4-(4-methylpiperazin-1-yl)benzamido)pyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate
761443-69-0
FT-0687653
1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE
5-tert-butyl 1-ethyl 3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate
Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylicacid, 4,6-dihydro-3-[[4-(4-methyl-1-piperazinyl)benzoyl]amino]-,5-(1,1-dimethylethyl) 1-ethyl ester
5-TERT-BUTYL 1-ETHYL 3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]AMINO}-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-1,5-DICARBOXYLATE
Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylicacid, 4,6-dihydro-3-[[4-(4-methyl-1-piperazinyl)benzoyl...
Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylicacid, 4,6-dihydro-3-[[4-(4-methyl-1-piperazinyl)benzoyl]amino]-,5-(1,1-dimethylethyl)
3-[4-(N,N-phthaloyl-glycyl)-phenyl]-propionic acid methyl ester
3-[4-(N,N-Phthaloyl-glycyl)-phenyl]-propionsaeure-methylester
3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-5-t-butyloxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole
methyl 3-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]phenyl}propanoate

MDL Number

MFCD11053614

FAQ

What are the physical and chemical properties of 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0)?

This compound is a crystalline solid with a molecular weight of approximately 832.9 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMSO and ethanol. The compound is highly reactive, especially towards nucleophiles and bases. It exhibits good stability under neutral to slightly acidic conditions but should be handled under an inert atmosphere to prevent degradation.

How is 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0) typically synthesized?

This compound is synthesized via a multi-step process involving the condensation of an amino acid derivative with an appropriate acid chloride. The reaction is catalyzed by a Lewis acid and proceeds with good regioselectivity. The yield is typically around 70-80%, and the final product is purified by recrystallization from a suitable solvent.

What industries use 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0)?

This compound is used in the pharmaceutical industry, particularly in the development of new drugs. It is also of interest in the polymer industry for its potential use as a functional monomer and in sensor technology due to its unique chemical properties.

What precautions should be taken when handling 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Handle under a fume hood to minimize exposure. In the event of a spill, neutralize the compound with an appropriate base, then clean up using absorbent materials. Always consult the safety data sheet (SDS) for detailed handling and disposal information.

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1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate | CAS No. 761443-69-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

GHS Hazard Pictograms

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0)?

How is 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0) typically synthesized?

What industries use 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0)?

What precautions should be taken when handling 1-Ethyl 5-(2-methyl-2-propanyl) 3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate (CAS: 761443-69-0)?

Related Compounds

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