(2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid

Basic Information

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CAS Number

788799-69-9

Molecular Formula

C15H26N2O6

Molecular Weight

330.38 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

443.888°C at 760 mmHg

Density

1.201

Flash Point

222.256°C

Refractive Index

1.503

SMILES

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CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m0/s1

InChIKey

IIZGWFQKLVCLLA-JTQLQIEISA-N

LogP

1.9273999999999993

Topological Polar Surface Area

96.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

477

Synonyms & References

English

SCHEMBL2364954
IIZGWFQKLVCLLA-JTQLQIEISA-N
(S)-1,4-Diboc-2-Piperazine-2-Carboxylic Acid
(2S)-1,4-bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid
(2S)-1,4-bis[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid
788799-69-9
(S)-1,4-bisBOC-piperazine-2-carboxylic acid
MFCD02179096
AMY37535
CS-M0445
AKOS015841548
(S)-1,4-(DI-BOC)-PIPERAZINE-2-CARBOXYLIC ACID
(S)-1,4-N-Diboc-2-piperazine-2-carboxylic acid
AS-37846
(S)-1,4-Bis(tert-butoxycarbonyl)piperazine-2-carboxylicacid
(2S)-1,4-bis(Boc)-piperazine-2-carboxylic acid
(2S)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
(S)-1,4bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid
(S)-1,4-Bis(tert-butoxycarbonyl)piperazine-2-carboxylic acid
(S)-1,4-(Di-Boc)piperaZine-2-carboxylic acid
(2S)-1,4-bis(1,1-dimethylethyl) ester-1,2,4-Piperazinetricarboxylic acid
1,2,4-Piperazinetricarboxylic acid, 1,4-bis(1,1-diMethylethyl) ester, (2S)-

MDL Number

MFCD02179096

FAQ

What are the physical and chemical properties of (2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid (CAS: 788799-69-9)?

The compound (2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid has a crystalline form and a molecular weight of approximately 498.56 g/mol. It has a low water solubility of 0.05 g/L and moderate reactivity towards acids. This compound is stable under normal conditions but may degrade at elevated temperatures.

How is (2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid (CAS: 788799-69-9) typically synthesized?

This compound is synthesized through a multi-step process involving the formation of esters from 2-methyl-2-propanol and piperazine, followed by selective carbonylation reactions. Common catalysts include metal complexes, and the overall yield is around 85%. This method provides high selectivity and reproducibility.

What industries use (2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid (CAS: 788799-69-9)?

This compound is used in various industries, including pharmaceuticals for its role as a key intermediate in drug synthesis, and in the polymer industry for its potential as a functional monomer. It also finds applications in sensor technology and semiconductor manufacturing due to its specific chemical properties.

What precautions should be taken when handling (2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid (CAS: 788799-69-9)?

When handling (2S)-1,4-Bis{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperazinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.