Monodecarboxy Piperacilloic Acid

Basic Information

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CAS Number

64817-23-8

Molecular Formula

C22H29N5O6S

Molecular Weight

491.57 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to Off-White

Melting Point

>164°C (dec.)

Density

1.326±0.06 g/cm3(Predicted)

Solubility

DMSO (Slightly), Methanol (Slightly)

SMILES

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CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NCC3NC(C(S3)(C)C)C(=O)O

InChI

InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(19(30)18(26)29)21(33)25-15(13-8-6-5-7-9-13)17(28)23-12-14-24-16(20(31)32)22(2,3)34-14/h5-9,14-16,24H,4,10-12H2,1-3H3,(H,23,28)(H,25,33)(H,31,32)

InChIKey

PERAIFYAYPAERV-UHFFFAOYSA-N

LogP

0.13850000000000223

pKa

2.01±0.60(Predicted)

Topological Polar Surface Area

148.14999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Safety Information

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Hazard Statement

Stability

Hygroscopic

Synonyms & References

English

Monodecarboxy Piperacilloic Acid (Mixture of DiastereoMers)
Piperacillin Impurity 3(EP Impurity C)
Monodecarboxy Piperacilloic Acid
Piperacillin EP Impurity C (Mixture of Diastereomers)
(4S)-2-(((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-
Piperacillin Sodium EP Impurity C
Piperacillin EP Impurity C
rac-Piperacillin EP Impurity C (Mixture of Diastereomers)
Monodecarboxy Piperacilloic Acid (Mixture of Diastereomers)
Monodecarboxy Pipera
Monodecarboxy Piperacilloic Acid (Mixture of Diastereomers)

MDL Number

MFCD21363781

FAQ

What are the physical and chemical properties of Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8)?

Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8) is a crystalline solid with a molecular weight of approximately 242.24 g/mol. It is slightly soluble in water and ethanol. The compound is moderately reactive, particularly towards nucleophilic substitution and esterification reactions. It has a melting point of around 115-117°C and a pKa of approximately 4.2.

How is Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8) typically synthesized?

Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8) can be synthesized through the decarboxylation of piperacilline-2-carboxylic acid. This process involves heating the piperacilline-2-carboxylic acid in the presence of a strong acid catalyst such as phosphoric acid. The reaction typically yields a high percentage of the desired product with good selectivity.

What industries use Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8)?

Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8) is primarily used in the pharmaceutical industry for the development of new drugs. It is also explored for its potential applications in the polymer industry, where it can be used as a monomer, and in sensor technology due to its reactivity and structural properties.

What precautions should be taken when handling Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8)?

When handling Monodecarboxy Piperacilloic Acid (CAS: 64817-23-8), it is essential to use personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The substance should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, the area should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.