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3-Piperidinecarboxylic acid T-butyl ester HCl is a chemical compound that features a piperidine ring connected to a carboxylic acid group and a t-butyl ester group. The hydrochloric acid (HCl) addition results in a hydrochloride salt, enhancing its solubility in water. 3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL serves as a multifunctional building block in the creation of pharmaceutical and agrochemical products, and it also functions as a catalyst in organic reactions and a chiral auxiliary in asymmetric synthesis. The t-butyl ester group offers protection to the carboxylic acid, facilitating its use in drug molecule synthesis.

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  • 301180-05-2 Structure
  • Basic information

    1. Product Name: 3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL
    2. Synonyms: 3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL;TERT-BUTYL PIPERIDINE-3-CARBOXYLATE;3-Piperidinecarboxylic acid T-butyl ester hydrochloride;tert-Butyl piperidine-3-carboxylate hydrochloride;Piperidine-3-carboxylic acid tert-butyl ester hydrochloride;3-Piperidinecarboxylic acid t-butyl ester;tert-butyl piperidine-3-carboxylate.HCl salt;RS-3-Piperidinecarboxylic acid1,1-dimethylethyl ester
    3. CAS NO:301180-05-2
    4. Molecular Formula: C10H19NO2
    5. Molecular Weight: 221.72
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 301180-05-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 278.6°Cat760mmHg
    3. Flash Point: 122.3°C
    4. Appearance: /
    5. Density: g/cm3
    6. Vapor Pressure: 0.0369mmHg at 25°C
    7. Refractive Index: 1.452
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 9.28±0.10(Predicted)
    11. CAS DataBase Reference: 3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL(301180-05-2)
    13. EPA Substance Registry System: 3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL(301180-05-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 37/38-41-51
    3. Safety Statements: 26-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 301180-05-2(Hazardous Substances Data)

301180-05-2 Usage

Uses

Used in Pharmaceutical Synthesis:
3-Piperidinecarboxylic acid T-butyl ester HCl is used as a building block for the synthesis of various pharmaceutical products due to its ability to be incorporated into complex molecular structures, contributing to the development of new drugs.
Used in Agrochemical Production:
In the agrochemical industry, 3-Piperidinecarboxylic acid T-butyl ester HCl is used as a key component in the synthesis of pesticides and other crop protection agents, leveraging its reactivity and structural properties to enhance the effectiveness of these products.
Used as a Catalyst in Organic Reactions:
3-Piperidinecarboxylic acid T-butyl ester HCl functions as a catalyst to accelerate specific organic reactions, improving the efficiency and selectivity of chemical processes in both research and industrial applications.
Used as a Chiral Auxiliary in Asymmetric Synthesis:
3-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL is utilized as a chiral auxiliary in asymmetric synthesis, aiding in the production of enantiomerically pure compounds, which is crucial for the development of pharmaceuticals with specific biological activities.
Used in the Protection of Carboxylic Acid Functionality:
The t-butyl ester group in 3-Piperidinecarboxylic acid T-butyl ester HCl provides protection for the carboxylic acid during chemical reactions, allowing for selective reactions to occur and facilitating the synthesis of drug molecules with desired properties.

Check Digit Verification of cas no

The CAS Registry Mumber 301180-05-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,1,1,8 and 0 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 301180-05:
(8*3)+(7*0)+(6*1)+(5*1)+(4*8)+(3*0)+(2*0)+(1*5)=72
72 % 10 = 2
So 301180-05-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H19NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3

301180-05-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl piperidine-3-carboxylate,hydrochloride

1.2 Other means of identification

Product number -
Other names 3-Piperidinecarboxylic acid t-butyl ester HCl

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:301180-05-2 SDS

301180-05-2Relevant articles and documents

Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds

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Page 117, (2010/02/07)

The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases and cerebral vasospasm, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal.

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