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(R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester is a chiral chemical compound characterized by the presence of a piperazine ring and a methyl ester functional group. The "R" designation signifies the specific orientation of substituents on the carbon atom, while the "N-Boc" group indicates the attachment of a tert-butoxycarbonyl (Boc) protecting group to the amine nitrogen atom of the piperazine ring. (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester is valued for its versatility and reactivity, making it a common intermediate in the synthesis of pharmaceuticals and other organic compounds. Careful handling and storage are essential to avoid potential hazards associated with this compound.

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  • 438631-77-7 Structure
  • Basic information

    1. Product Name: (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester
    2. Synonyms: (R)-1-N-Boc-piperazine-3-carboxylic acid methyl ester;Methyl (R)-1-N-Boc-piperazine-3-carboxylate;REF DUPL: (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester;(R)-1-N-Boc-3-piperazinecarboxylic acid methyl ester;Methyl (R)-4-Boc-piperazine-2-carboxylate;(R)-4-N-Boc-piperazine-2-carboxylic acid Methyl ester 96%;R-1-Boc-piperazine-3-carboxylic acid Methyl ester;(R)-4-tert-butyloxypiperazine-2-carboxylic acid Methyl ester
    3. CAS NO:438631-77-7
    4. Molecular Formula: C11H20N2O4
    5. Molecular Weight: 244.289
    6. EINECS: N/A
    7. Product Categories: Piperaizine
    8. Mol File: 438631-77-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 321.3 °C at 760 mmHg
    3. Flash Point: 148.1 °C
    4. Appearance: /
    5. Density: 1.118 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 6.45±0.40(Predicted)
    10. CAS DataBase Reference: (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester(438631-77-7)
    12. EPA Substance Registry System: (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester(438631-77-7)
  • 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: 438631-77-7(Hazardous Substances Data)

438631-77-7 Usage

Uses

Used in Pharmaceutical Synthesis:
(R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the creation of complex molecular structures. The Boc protecting group plays a crucial role in preventing unwanted side reactions during the synthesis process, ensuring the desired product is obtained.
Used in Organic Chemistry:
In the field of organic chemistry, (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester is utilized as a versatile building block for the assembly of a wide range of organic compounds. Its reactivity and the presence of the methyl ester functional group make it suitable for various chemical reactions, contributing to the development of new molecules with potential applications in various industries.
Used in Chiral Compounds Production:
Due to its chiral nature, (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester is employed in the production of chiral compounds, which are essential in various applications, including pharmaceuticals, agrochemicals, and fragrances. The specific arrangement of substituents on the carbon atom allows for the creation of enantiomerically pure compounds, which are crucial for the desired biological activity and selectivity.
Used in Research and Development:
(R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester is also used in research and development settings to explore its potential applications and properties. Scientists and researchers utilize this compound to investigate new synthetic routes, study its reactivity, and develop novel applications in various fields, such as materials science, catalysis, and drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 438631-77-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,8,6,3 and 1 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 438631-77:
(8*4)+(7*3)+(6*8)+(5*6)+(4*3)+(3*1)+(2*7)+(1*7)=167
167 % 10 = 7
So 438631-77-7 is a valid CAS Registry Number.

438631-77-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-O-tert-butyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate

1.2 Other means of identification

Product number -
Other names (r)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester

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:438631-77-7 SDS

438631-77-7Relevant articles and documents

Method for synthesizing monoamine-protected piperazine-(R/S)2-formate

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Paragraph 0032-0034, (2021/02/06)

The invention discloses a method for synthesizing monoamine-protected piperazine-(R/S)2-formate, wherein the method comprises the steps: by using 2-piperazinecarboxylate as a raw material, protecting1,4-site amines by using different protective groups, and salifying by using different chiral amines, resolving to obtain a single chiral compound; and finally, using pyridine or DMAP and other pyridine analogues as an alkali, reacting oxalyl chloride, triphosgene, phosgene, thionyl chloride and other similar acyl chlorides in anhydrous tetrahydrofuran, 2-methyl tetrahydrofuran or toluene and other solvents, and finally adding methanol, ethanol, isopropanol, benzyl alcohol and other alcohol reagents to generate the target product capable of removing carboxylic acid ortho-amino protecting groups in a positioned manner and esterifying carboxylic acid. Amino groups on piperazine are separately protected through simple three-step reaction, chiral resolution is performed by utilizing the characteristics of acid, finally, protonated intermediates are formed through organic alkali and carboxylic acid, anhydride is formed by the protonated intermediates and ortho-amino groups, formic acid esterification is performed by utilizing alcohol to replace ring opening, and a final product is obtained.

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