113534-02-4

Basic information

• Product Name: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester
• Synonyms: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester;1-PIPERAZINECARBOXYLIC ACID, 4-CYANO-,1,1-DIMETHYLETHYL ESTER
• CAS NO: 113534-02-4
• Molecular Formula: C₁₀H₁₇N₃O₂
• Molecular Weight: 211.26088
• Mol File: 113534-02-4.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 353.989 °C at 760 mmHg
• Flash Point: 167.887 °C
• Appearance: /
• Density: 1.13
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.90±0.70(Predicted)
• CAS DataBase Reference: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester(113534-02-4)
• EPA Substance Registry System: 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester(113534-02-4)

Safety Data

• Hazardous Substances Data: 113534-02-4(Hazardous Substances Data)

Usage

General Description

4-Cyanopiperazine-1-carboxylic acid tert-butyl ester, also known simply as 4-cyanopiperazine, is a chemical compound used in the pharmaceutical industry. It is a tert-butyl ester derivative of 4-cyanopiperazine-1-carboxylic acid, and is commonly used as an intermediate in the synthesis of various pharmaceutical products. 4-Cyanopiperazine-1-carboxylic acid tert-butyl ester is known for its versatile reactivity and ability to undergo various chemical transformations, making it a valuable building block in the development of new drugs. Its molecular structure and properties make it suitable for incorporation into a wide range of pharmaceutical compounds, and it plays a key role in the development and production of medicines for various medical conditions.

Upstream product

• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 172876-96-9 3-oxo-1λ³-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile 
• 506-68-3 bromocyane 
• 24424-99-5 di-tert-butyl dicarbonate 
• 34065-01-5 1-cyanopiperazine 

Relevant articles and documents

N-Cyanation of Primary and Secondary Amines with Cyanobenzio-doxolone (CBX) Reagent

An efficient electrophilic N-cyanation of amines with a stable and less-toxic cyanobenziodoxole reagent towards the synthesis of cyanamides is disclosed. This synthetically practicable strategy allows the construction of a wide variety of cyanamides under very mild and simple conditions with a broad functional group compatibility, and showcases a huge potential in late-stage modification of complex molecules.

The optimization of xanthine derivatives leading to HBK001 hydrochloride as a potent dual ligand targeting DPP-IV and GPR119

A series of xanthine compounds derived from the previous hit 20i with modification on the terminal side chain was discovered through ring formation strategy. Systematic optimization of the compounds with rigid heterocycles in the hydrophobic side chain led to the new lead compound HBK001 (21h) with the improved DPP-IV inhibition and moderate GPR119 agonism activity in vitro. As a continuing work to further study the PK and PD profiles, 21h and its hydrochloride (22) were synthesized on grams scale and evaluated on the ADME/T and oral glucose tolerance test (OGTT) in ICR mice. Compound 22 showed the improved bioavailability and blood glucose-lowering effect in vivo compared to its free base 21h probably attributed to its improved solubility and permeability. The preliminary toxicity studies on compound 22 exhibited that the result of mini-Ames was negative and the preliminary acute toxicity LD50 in mice was above 1.5 g/kg, while it showed moderate inhibition on hERG channel with IC50 4.9 μM maybe due to its high lipophilicity. These findings will be useful for the future drug design for more potent and safer dual ligand targeting DPP-IV and GPR119 for the treatment of diabetes.

PHENYL NICOTINIC ACID COMPOUND AND PEST CONTROLLING AGENT

PROBLEM TO BE SOLVED: To provide a specific phenyl nicotinic acid compound capable of being used as a pest controlling agent, an insecticidal or acaricidal and ectoparasite controlling agent, or expellent. SOLUTION: There is provided a compound represente