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Tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate is a chemical compound with the molecular formula C11H21NO3. It is a derivative of piperidine, a heterocyclic amine, characterized by the presence of a tert-butyl functional group attached to the piperidine ring, which provides steric hindrance and stability. tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate features a hydroxy group at the 5th position and a carboxylate group at the 1st position, making it a versatile building block in organic synthesis and a potential precursor in the development of pharmaceuticals and agrochemicals.

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  • 1431473-05-0 Structure
  • Basic information

    1. Product Name: tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
    2. Synonyms: tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
    3. CAS NO:1431473-05-0
    4. Molecular Formula: C11H21NO3
    5. Molecular Weight: 215.28934
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1431473-05-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 301.4±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.067±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 14.75±0.40(Predicted)
    10. CAS DataBase Reference: tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate(1431473-05-0)
    12. EPA Substance Registry System: tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate(1431473-05-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1431473-05-0(Hazardous Substances Data)

1431473-05-0 Usage

Uses

Used in Pharmaceutical Synthesis:
Tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the molecular structure and properties of potential drug candidates. Its unique stereochemistry and functional groups facilitate the creation of new compounds with specific therapeutic effects.
Used in Agrochemical Production:
In the agrochemical industry, tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate serves as a precursor in the development of pesticides and other agricultural products. Its chemical properties allow for the design of compounds that can target specific pests or enhance crop protection, contributing to more effective and sustainable agricultural practices.
Used in Organic Synthesis Research:
As a building block in organic synthesis, tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate is utilized in research to explore new synthetic pathways and develop innovative methodologies. Its unique structural features make it a valuable tool for chemists to study and create novel molecules with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1431473-05-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,3,1,4,7 and 3 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1431473-05:
(9*1)+(8*4)+(7*3)+(6*1)+(5*4)+(4*7)+(3*3)+(2*0)+(1*5)=130
130 % 10 = 0
So 1431473-05-0 is a valid CAS Registry Number.

1431473-05-0Relevant articles and documents

Investigation of orexin-2 selective receptor antagonists: Structural modifications resulting in dual orexin receptor antagonists

Skudlarek, Jason W.,DiMarco, Christina N.,Babaoglu, Kerim,Roecker, Anthony J.,Bruno, Joseph G.,Pausch, Mark A.,O'Brien, Julie A.,Cabalu, Tamara D.,Stevens, Joanne,Brunner, Joseph,Tannenbaum, Pamela L.,Wuelfing, W. Peter,Garson, Susan L.,Fox, Steven V.,Savitz, Alan T.,Harrell, Charles M.,Gotter, Anthony L.,Winrow, Christopher J.,Renger, John J.,Kuduk, Scott D.,Coleman, Paul J.

, p. 1364 - 1370 (2017/03/08)

In an ongoing effort to explore the use of orexin receptor antagonists for the treatment of insomnia, dual orexin receptor antagonists (DORAs) were structurally modified, resulting in compounds selective for the OX2R subtype and culminating in the discovery of 23, a highly potent, OX2R-selective molecule that exhibited a promising in vivo profile. Further structural modification led to an unexpected restoration of OX1R antagonism. Herein, these changes are discussed and a rationale for selectivity based on computational modeling is proposed.

Identification of MK-8133: An orexin-2 selective receptor antagonist with favorable development properties

Kuduk, Scott D.,Skudlarek, Jason W.,Dimarco, Christina N.,Bruno, Joseph G.,Pausch, Mark H.,O'brien, Julie A.,Cabalu, Tamara D.,Stevens, Joanne,Brunner, Joseph,Tannenbaum, Pamela L.,Garson, Susan L.,Savitz, Alan T.,Harrell, Charles M.,Gotter, Anthony L.,Winrow, Christopher J.,Renger, John J.,Coleman, Paul J.

, p. 2488 - 2492 (2015/06/02)

Abstract Antagonism of orexin receptors has shown clinical efficacy as a novel paradigm for the treatment of insomnia and related disorders. Herein, molecules related to the dual orexin receptor antagonist filorexant were transformed into compounds that w

2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS

-

, (2015/06/25)

The present invention is directed to 2-pyridyloxy-3-ester-4-ether compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-4-ether compounds described herein in the potential treatment or prev

PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS

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, (2015/07/07)

The present invention is directed to piperidinyloxy lactone compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the piperidinyloxy lactone compounds described herein in the potential treatment or preventi

2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS

-

, (2014/05/07)

The present invention is directed to 2-pyridyloxy-3-ester-4-nitrile compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-3-ester-4-nitrile compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

2-PYRIDYLOXY-4-ESTER OREXIN RECEPTOR ANTAGONISTS

-

, (2014/07/08)

The present invention is directed to 2-pyridyloxy-4-ester compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-4-ester compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS

-

, (2014/09/29)

The present invention is directed to 2-pyridyloxy-4-ether compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-4-ether compounds described herein in the potential treatment or prevention o

2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS

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, (2014/11/13)

The present invention is directed to 2-hydroxymethyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

2-PYRIDYLOXY-3-SUBSTITUTED-4-NITRILE OREXIN RECEPTOR ANTAGONISTS

-

, (2014/05/24)

The present invention is directed to 2-pyridyloxy-3-substituted-4-nitrile compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2-pyridyloxy-3-substituted-4-nitrile compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

HALO AND TRIFLUOROMETHYL SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS

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, (2014/11/13)

The present invention is directed to halo and trifluoromethyl substituted compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

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