164331-38-8

Basic information

• Product Name: TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE
• Synonyms: TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE;2-methyl-2-propanyl 4-(methylsulfonyl)-1-piperazinecarboxylate
• CAS NO: 164331-38-8
• Molecular Formula: C₁₀H₂₀N₂O₄S
• Molecular Weight: 264.34
• Mol File: 164331-38-8.mol
• Article Data: 34

Chemical Properties

• Melting Point: 110-111 °C
• Boiling Point: 369.7±52.0 °C(Predicted)
• Appearance: /
• Density: 1.24±0.1 g/cm3(Predicted)
• PKA: -0.95±0.70(Predicted)
• CAS DataBase Reference: TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE(164331-38-8)
• EPA Substance Registry System: TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE(164331-38-8)

Safety Data

• Hazardous Substances Data: 164331-38-8(Hazardous Substances Data)

Usage

General Description

Tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate is a chemical compound with the molecular formula C11H22N2O4S. It is a piperazine derivative with a tert-butyl group and a methylsulfonyl substituent. TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It can act as a building block for the production of various bioactive molecules. The methylsulfonyl group in its structure gives it certain unique properties and potential applications in medicinal chemistry and drug development.

Upstream product

• 124-63-0 methanesulfonyl chloride 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 7487-88-9 magnesium sulfate 

Downstream Products

• 161357-89-7 1-(methylsulfonyl)piperazine hydrochloride 
• 885675-66-1 4-(2-chloro-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]-pyrimidin-4-yl)morpholine 
• 1260098-33-6 2-(4-methanesulfonyl-piperazin-1-yl)-1-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-ethanone 
• 1391636-31-9 C₁₆H₂₃ClN₂O₄S 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 55276-43-2 4-methanesulfonylpiperazine 

Relevant articles and documents

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Despite the fact that there are several anticancer drugs available, cancer has evolved using different pathways inside the cell. The protein tyrosine phosphatases pathway is responsible for monitoring cell proliferation, diversity, migration, and metabolism. More specifically, the SHP2 protein, which is a member of the PTPs family, is closely related to cancer. In our efforts, with the aid of a structure-based drug design, we optimized the known inhibitor SHP099 by introducing 1-(methylsulfonyl)-4-prolylpiperazine as a linker. We designed and synthesized three pyrazine-based small molecules. We started with prolines as cyclic amines, confirming that our structures had the same interactions with those already existing in the literature, and, here, we report one new hydrogen bond. These studies concluded in the discovery of methyl (6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl)prolylprolinate hydrochloride as one of the final compounds which is an active and acceptable cytotoxic agent.

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