236406-21-6

Basic information

• Product Name: 1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine
• Synonyms: 1-BOC-4-(HYDROXYMETHYL)-4-METHYL-PIPERIDINE;tert-Butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate;tert-Butyl 4-(hydroxyMethyl)-4-Methylpiperidine-2-carboxylate;tert-Butyl 4-(hydroxyMethyl)-4-Methylpiperidine-3-carboxylate;tert-Butyl 4-(hydroxyMethyl)-4-Methylpiperidine-4-carboxylate;tert-Butyl 4-(hydroxyMethyl)-4-Methylpiperidine-5-carboxylate;tert-Butyl 4-(hydroxyMethyl)-4-Methylpiperidine-6-carboxylate;1-Boc-4-(HydroxyMethyl)-4...
• CAS NO: 236406-21-6
• Molecular Formula: C12H23NO3
• Molecular Weight: 229.32
• Mol File: 236406-21-6.mol

Chemical Properties

• Boiling Point: 312.418°C at 760 mmHg
• Flash Point: 142.745°C
• Appearance: /
• Density: 1.034g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.474
• Storage Temp.: 2-8°C
• PKA: 14.94±0.10(Predicted)
• CAS DataBase Reference: 1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine(236406-21-6)
• EPA Substance Registry System: 1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine(236406-21-6)

Safety Data

• Hazardous Substances Data: 236406-21-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine is used as a key intermediate in the synthesis of pharmaceutical compounds for various therapeutic applications. Its ability to serve as a protecting group for amines and alcohols during chemical reactions ensures the selective formation of desired products, enhancing the efficiency and yield of the synthesis process.
Used in Organic Synthesis:
In the field of organic synthesis, 1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine is utilized as a versatile building block for the creation of complex organic molecules. Its structural features allow for the development of a wide range of chemical entities, contributing to the advancement of organic chemistry and the discovery of new compounds with potential applications in various industries.
Used in the Production of Biologically Active Compounds:
1-Boc-4-(Hydroxymethyl)-4-methyl-piperidine is employed as a crucial component in the synthesis of biologically active compounds, which have potential applications in the fields of medicine, agriculture, and environmental science. Its role in the development of these compounds highlights its importance in the discovery and production of novel bioactive substances with potential therapeutic or practical uses.

InChI:InChI=1/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3

Upstream product

• 189442-87-3 ethyl tert-butyl 4-methylpiperidine-1,4-dicarboxylate 
• 724790-59-4 4-methyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester 
• 189321-63-9 1-(tert-butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid 
• 142851-03-4 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate 
• 124443-68-1 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate 
• 498-94-2 isonipecotic acid 
• 2971-79-1 isonipecotic acid methyl ester 

Downstream Products

• 189442-92-0 N-tert-Butoxycarbonyl-4-methyl-4-piperidine carboxaldehyde 
• 236406-22-7 tert-butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate 
• 1354792-85-0 4-(hydroxymethyl)-4-methylpiperidine hydrochloride 
• 297172-16-8 (4-methylpiperidin-4-yl)methanol 
• 189321-63-9 1-(tert-butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid 

Relevant articles and documents

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.

KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM

Disclosed herein are small molecule compounds that are SGK1 antagonists, formulations and pharmaceutical compositions comprising the compounds, and methods of making and using them, for treating, ameliorating, preventing, reversing or slowing the progression of: a cancer, a tumor, a metastasis or a dysplastic or a dysfunctional cell condition responsive to inhibition of a kinase enzyme of the AGC group of kinases including SGK1, by administration of an AGC kinase inhibitor or antagonist.

Novel heterocyclic derivative capable of being used as SHP2 inhibitor

The invention relates to a novel heterocyclic derivative capable of being used as an SHP2 inhibitor, specifically relates to a compound shown by a formula I or pharmaceutically acceptable salts thereof, further relates to a use of the compound shown by the formula I or the pharmaceutically acceptable salts thereof and a pharmaceutical composition thereof in drug preparation, and particularly relates to a use in preparation of drugs for treatment, inhibition or prevention of diseases or discomforts mediated by SHP2 activity.

Discovery of conolidine derivative DS39201083 as a potent novel analgesic without mu opioid agonist activity

We discovered a novel compound, 5-methyl-1,4,5,7-tetrahydro-2,5-ethanoazocino[4,3-b]indol-6(3H)-one sulfuric acid salt (DS39201083), which was formed by derivatization of a natural product, conolidine. DS39201083 had a unique bicyclic skeleton and was a m

NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS

This invention relates to certain novel pyrazine derivatives (Formula I) as SHP2 inhibitors which is shown as formula I, their synthesis and their use for treating a SHP2 mediated disorder. More particularly, this invention is directed to fused heterocyclic group derivatives useful as inhibitors of SHP2, methods for producing such compounds and methods for treating a SHP2-mediated disorder.

N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE

Provided herein are certain substituted N-aryl and N-heteroaryl piperidine compounds of the formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, L, R4, L1, Q, R5 and R 6 are as defined. The said novel compounds, and pharmaceutically acceptable compositions comprising a compound thereof, may be 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 disease and diseases characterized by defects in cholesterol and lipid metabolism, such as Alzheimer's disease.

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.

AZOLE-SUBSTITUTED PYRIDINE COMPOUND

The present invention provides a compound represented by formula [I'| shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme, wherein the structure represented by formula [III] shown below represents any of the structures represented by formula group [IV] shown below, wherein R1 represents a hydrogen atom, a fluorine atom, methyl, etc.; R2, R3, and R4 each independently represent a hydrogen atom, a fluorine atom, or methyl; W represents a single bond, C1-3alkanediyl, or the formula -O-CH2CH2-; and ring A represents (a) substituted C4-6cycloalkyl, (b) substituted 4- to 6-membered saturated nitrogen-containing heterocyclyl, (c) substituted phenyl, (d) substituted pyridyl, (e) substituted 2,3-dihydrobenzofuran, (f) 4- to 6-membered saturated oxygen-containing heterocyclyl, etc.

ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS

Disclosed is a series of analogues of 4H-pyrazolo[1,5-α]benzimidazole compound as PARP inhibitors. In particular, disclosed in the invention is a compound as shown by formula (I) or a pharmaceutically acceptable salt thereof as a PARP inhibitor.

Synthesis and SAR of Imidazo[1,5-a[pyridine derivatives as 5-HT4 receptor partial agonists for the treatment of cognitive disorders associated with Alzheimer's disease

Alzheimer's disease (AD) is a neurodegenerative disease which has a higher prevalence and incidence in older people. The need for improved AD therapies is unmet. The 5-hydroxytryptamine4 receptor (5-HT4R) partial agonists may be of benefit for both the symptomatic and disease-modifying treatment of cognitive disorders associated with AD. Herein, we report the design, synthesis and SAR of imidazo[1,5-a] pyridine derivatives as 5-HT4R partial agonists. The focused SAR, optimization of ADME properties resulted the discovery of compound 5a as potent, selective, brain penetrant 5-HT4 partial agonist as a lead compound with good ADME properties and efficacy in both symptomatic and disease modifying animal models of cognition.