724790-59-4

Basic information

• Product Name: 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester
• Synonyms: 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester;1-Boc-4-methylpiperidine-4-carboxylic acid methyl ester;4-(Methoxycarbonyl)-4-methylpiperidine-1-carboxylic acid tert-butyl ester;Methyl 1-Boc-4-Methylpipe...;N-Boc-4-Methyl nipecotic acid Methyl ester;1-Boc-4-methyl-4-methoxycarbonylpiperidine
• CAS NO: 724790-59-4
• Molecular Formula: C₁₃H₂₃NO₄
• Molecular Weight: 257.33
• Mol File: 724790-59-4.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 313.2 °C at 760 mmHg
• Flash Point: 143.2 °C
• Appearance: /
• Density: 1.068
• Refractive Index: 1.468
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -2.26±0.40(Predicted)
• CAS DataBase Reference: 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester(724790-59-4)
• EPA Substance Registry System: 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester(724790-59-4)

Safety Data

• Hazardous Substances Data: 724790-59-4(Hazardous Substances Data)

Usage

General Description

1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester, also known as 4-Methyl-1-(1,1-dimethylethyl) 4-methyl-piperidine-2,6-dione, is a chemical compound with the molecular formula C12H21NO4. It is commonly used as a building block or intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester is known for its potential as an anti-inflammatory and analgesic agent. It is a white to off-white crystalline solid that is sparingly soluble in water but more soluble in organic solvents such as ethanol, acetone, and ethyl acetate. The chemical properties of 1,4-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) 4-methyl ester make it valuable in various industrial processes and research applications.

InChI:InChI=1/C13H23NO4/c1-12(2,3)18-11(16)14-8-6-13(4,7-9-14)10(15)17-5/h6-9H2,1-5H3

Upstream product

• 74-88-4 methyl iodide 
• 84358-13-4 N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid 
• 498-94-2 isonipecotic acid 
• 2971-79-1 isonipecotic acid methyl ester 
• 124443-68-1 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate 

Downstream Products

• 892493-16-2 4-methyl-piperidine-4-carboxylic acid methyl ester 
• 236406-21-6 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylic acid tert-butyl ester 
• 236406-14-7 1,1-dimethylethyl 4-methyl-4-({[(phenylmethyl)oxy]carbonyl}amino)-1-piperidinecarboxylate 
• 236406-15-8 (4-methyl-piperidin-4-yl)-carbamic acid benzyl ester 
• 1421928-79-1 ethyl 2-(4-(((benzyloxy)carbonyl)amino)-4-methylpiperidin-1-yl)acetate 
• 948895-16-7 8-(benzyloxy)-5-{(1R)-1-hydroxy-2-[({4-(hydroxymethyl)-1-[2-(2-phenylethoxy)ethyl]piperidin-4-yl}methyl)amino]ethyl}quinolin-2(1H)-one 
• 948895-12-3 methyl 4-(azidomethyl)-1-[2-(2-phenylethoxy)ethyl]piperidine-4-carboxylate 
• 948895-13-4 {4-(aminomethyl)-1-[2-(2-phenylethoxy)ethyl]piperidin-4-yl}methanol 
• 189442-92-0 N-tert-Butoxycarbonyl-4-methyl-4-piperidine carboxaldehyde 

Relevant articles and documents

QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS

The disclosure includes compounds of Formula (I) and Formula(A) wherein R1, R2, R3, m, n, k, and L are defined herein. Also disclosed are methods for treating a neoplastic disease, autoimmune disease, or an inflammatory disorder with these compounds.

Design and Synthesis of 56 Shape-Diverse 3D Fragments

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we describe a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) analysis). A key, and unique, underpinning design feature of this fragment collection is that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol?1 above the energy of the global minimum energy conformer) is carried out prior to synthesis and is also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six commercial libraries, it is clear that our collection has high three-dimensionality and shape diversity.

ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE

Substituted aryl and heteroaryl ether compounds of the Formula (I) and pharmaceutically acceptable salts thereof, wherein X, R 1, R 2, R 3, L, R 4, L 1, Q, and R 5 are as defined herein. These compounds and pharmaceutically acceptable compositions comprising a compound thereof, are useful as Liver X-β receptor (LXRβ) agonists, and may be useful for treating or preventing pathologies related thereto. Such pathologies include, but are not limited to, inflammatory diseases and diseases characterized by defects in cholesterol and lipid metabolism, such as Alzheimer's disease.