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Tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate is a chemical compound characterized by the molecular formula C13H25NO3. It is a derivative of piperidine, featuring a tert-butyl ester group and a hydroxymethyl group attached to the piperidine ring. tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate is recognized for its role in organic synthesis and its potential as a chiral building block in the creation of biologically active molecules. Its unique structural properties render it a promising candidate for the development of new drug candidates and bioactive compounds, making it a significant entity in the realm of organic chemistry and drug development.

406212-48-4

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406212-48-4 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate serves as a reagent in organic synthesis, facilitating the preparation of a variety of pharmaceuticals and fine chemicals. Its versatile chemical structure allows for its incorporation into complex organic molecules, enhancing the range of compounds that can be synthesized for various applications.
Used as a Chiral Building Block:
In the pharmaceutical industry, tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate is utilized as a chiral building block. Its asymmetric center provides a foundation for the synthesis of enantiomerically pure compounds, which is crucial for the development of drugs with specific biological activities and reduced side effects.
Used in Drug Development:
tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate's unique structural properties make it an attractive candidate for the development of new drug candidates. Its potential use in creating biologically active molecules positions it as a valuable asset in the discovery and design of novel therapeutic agents.
Used in the Synthesis of Bioactive Compounds:
Tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate is also employed in the synthesis of bioactive compounds, contributing to the advancement of chemical libraries that can be screened for potential therapeutic effects. Its presence in these libraries aids researchers in identifying new leads for drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 406212-48-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,0,6,2,1 and 2 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 406212-48:
(8*4)+(7*0)+(6*6)+(5*2)+(4*1)+(3*2)+(2*4)+(1*8)=104
104 % 10 = 4
So 406212-48-4 is a valid CAS Registry Number.

406212-48-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-(hydroxymethyl)-3-methylpiperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 3-(hydroxymethyl)-3-methyl-1-piperidinecarboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:406212-48-4 SDS

406212-48-4Relevant academic research and scientific papers

Design and Synthesis of 56 Shape-Diverse 3D Fragments

Atobe, Masakazu,Blakemore, David C.,Bond, Paul S.,Chan, Ngai S.,De Fusco, Claudia,Downes, Thomas D.,Firth, James D.,Hubbard, Roderick E.,Jones, S. Paul,Klein, Hanna F.,O'Brien, Peter,Roughley, Stephen D.,Vidler, Lewis R.,Waddelove, Laura,Whatton, Maria Ann,Wheldon, Mary C.,Woolford, Alison J.-A.,Wrigley, Gail L.

supporting information, (2020/07/13)

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.

THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS

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, (2014/06/11)

Thienopyridone compounds of formula (I) or a salt thereof, pharmaceutical compositions containing such compounds and their use in therapy, in particular in the treatment of diseases or conditions for which a bromodomain inhibitor is indicated.

3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE

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Page/Page column 48, (2010/12/30)

[Problem] There is provided a compound useful as a preventive or remedy for cardiovascular disease, neurologic disease, metabolic disease, reproductive disease, and digestive disease. [Means for Resolution] A compound or a pharmaceutically acceptable salt

IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS

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Page/Page column 203, (2009/01/23)

In its many embodiments, the present invention provides a novel class of imidazopyrazine compounds as inhibitors of protein and/or Aurora kinases, methods of preparing such compounds, pharmaceutical compositions including one or more such compounds, methods of preparing pharmaceutical formulations including one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the protein or Aurora kinases using such compounds or pharmaceutical compositions.

Therapeutic pyrazolo[3,4-B]pyridines and indazoles

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Page/Page column 16-17, (2008/06/13)

The present invention provides for compounds of Formula I: wherein R2, R3, R4, R5, R6, R7, X, and L have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of central nervous disorders and conditions including attention deficit hyperactivity disorder, neuropathic pain, urinary incontinence, anxiety, depression, and schizophrenia and fibromyalgia. Also provided are pharmaceutical compositions comprising one or more compounds of Formula I.

Pyridine derivatives

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, (2008/06/13)

Pyridine compounds of general formula: wherein —R1represents in which R11is hydrogen, C1-6alkyl, halogen, hydroxy, C1-12alkoxy, nitro, amino, C1-6alkylsulfonylamino, C1-6alkoxycarbonyl, C1-6alkylamino, di(C1-6alkyl)amino, C1-6alkanoylamino, phenyl C1-6alkylamino, phenylsulfonylamino, or —O—(CH2)n—R111; R2represents hydrogen or halogen; R3represents hydrogen, —CR31R32R33, or —NR34R35; R4is hydrogen, carbamoyl, CN, carboxyl, etc.; R5is amino, C1-6alkylamino, di C1-6alkylamino, etc. or salt thereof. The compound has an excellent anti-inflammatory activity, and other biological activity.

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