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5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is a chemical compound with the molecular formula C13H23NO4. It is a derivative of azepane-2-carboxylic acid, featuring a tert-butoxycarbonyl (Boc) protecting group attached to the nitrogen atom. 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is recognized for its role in organic synthesis and pharmaceutical research, serving as a building block for the creation of various bioactive molecules. The Boc protecting group enhances its versatility by enabling selective modification of the azepane-2-carboxylic acid moiety, making it an indispensable intermediate in the development of pharmaceuticals and other complex organic compounds.

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  • 1214824-64-2 Structure
  • Basic information

    1. Product Name: 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid
    2. Synonyms: 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid;-1,4-diazepane-5-carboxylic acid
    3. CAS NO:1214824-64-2
    4. Molecular Formula: C12H21NO4
    5. Molecular Weight: 243.29944
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1214824-64-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 386.4±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.159±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    8. Solubility: N/A
    9. PKA: 2.27±0.20(Predicted)
    10. CAS DataBase Reference: 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid(1214824-64-2)
    12. EPA Substance Registry System: 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid(1214824-64-2)
  • 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: 1214824-64-2(Hazardous Substances Data)

1214824-64-2 Usage

Uses

Used in Pharmaceutical Research and Development:
5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is utilized as a key intermediate in the synthesis of pharmaceuticals for its ability to protect the nitrogen atom during chemical reactions. This protection allows for selective modification of the azepane-2-carboxylic acid moiety, facilitating the production of a wide range of bioactive compounds with potential therapeutic applications.
Used in Organic Synthesis:
In the field of organic synthesis, 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is employed as a versatile building block for constructing complex organic compounds. The Boc protecting group ensures that the nitrogen atom remains unreactive during certain stages of synthesis, providing chemists with greater control over the reaction process and the ability to create a diverse array of molecular structures.
Used in the Production of Bioactive Molecules:
5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is used as a precursor in the production of bioactive molecules due to its capacity to be selectively modified. The presence of the Boc group allows for the synthesis of compounds with specific biological activities, which can be further explored for their potential use in medicine and other applications.
Used in Drug Design and Medicinal Chemistry:
In drug design and medicinal chemistry, 5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is applied as a structural element in the development of new drugs. Its unique properties and the ability to modify the azepane-2-carboxylic acid moiety make it a valuable component in the creation of molecules with optimized pharmacological properties, such as potency, selectivity, and bioavailability.
Used in Chemical Research:
5-(tert-butoxycarbonyl)azepane-2-carboxylic acid is also used in chemical research to study the effects of protecting groups on reaction mechanisms and to explore new synthetic routes for the preparation of complex organic molecules. Its reactivity and the influence of the Boc group on the synthesis process provide valuable insights into the principles of organic chemistry and contribute to the advancement of synthetic methodologies.

Check Digit Verification of cas no

The CAS Registry Mumber 1214824-64-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,1,4,8,2 and 4 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1214824-64:
(9*1)+(8*2)+(7*1)+(6*4)+(5*8)+(4*2)+(3*4)+(2*6)+(1*4)=132
132 % 10 = 2
So 1214824-64-2 is a valid CAS Registry Number.

1214824-64-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-5-carboxylic acid

1.2 Other means of identification

Product number -
Other names -

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:1214824-64-2 SDS

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