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N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE, a derivative of aniline with the molecular formula C14H21NO2, is a chemical compound used in various industrial applications. It is characterized by a mild, sweet odor and a beige to brownish solid appearance, with a melting point of 55-60°C. Despite its low acute toxicity, ongoing research is being conducted to understand its potential impact on human health and the environment.

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  • 21608-06-0 Structure
  • Basic information

    1. Product Name: N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE
    2. Synonyms: N-ETHYL-N-2-METHOXYCARBONYL) ETHYLANILINE;N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE;methyl N-ethyl-N-phenyl-beta-alaninate;methyl 3-(ethyl(phenyl)amino)propanoate;EINECS 244-471-2;.beta.-Alanine, N-ethyl-N-phenyl-, methyl ester;.beta.-Alanine,N-ethyl-N-phenyl-,methyl ester;n-ethyl-n-phenyl-beta-alanin methyl ester
    3. CAS NO:21608-06-0
    4. Molecular Formula: C12H17NO2
    5. Molecular Weight: 207.27
    6. EINECS: 244-471-2
    7. Product Categories: Intermediates of Dyes and Pigments
    8. Mol File: 21608-06-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 304 °C at 760 mmHg
    3. Flash Point: 112.7 °C
    4. Appearance: /
    5. Density: 1.052 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 5.89±0.50(Predicted)
    10. CAS DataBase Reference: N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE(21608-06-0)
    12. EPA Substance Registry System: N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE(21608-06-0)
  • 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: 21608-06-0(Hazardous Substances Data)

21608-06-0 Usage

Uses

Used in Chemical Industry:
N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE is used as a coupling agent and intermediate in the production of dyes and pigments, contributing to the coloration and stability of these products.
Used in Organic Synthesis:
N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE serves as a key intermediate in organic synthesis, enabling the creation of a variety of complex organic molecules for different applications in the chemical industry.
While the provided materials do not specify different industries for the uses of N-ETHYL-N-METHOXYCARBONYLETHYL ANILINE, the general applications mentioned are applicable across various sectors of the chemical industry that involve dye and pigment production, as well as broader organic synthesis processes.

Check Digit Verification of cas no

The CAS Registry Mumber 21608-06-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,6,0 and 8 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 21608-06:
(7*2)+(6*1)+(5*6)+(4*0)+(3*8)+(2*0)+(1*6)=80
80 % 10 = 0
So 21608-06-0 is a valid CAS Registry Number.

21608-06-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-(N-ethylanilino)propanoate

1.2 Other means of identification

Product number -
Other names N-Ethyl-N-methoxycarbonylethyl aniline

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:21608-06-0 SDS

21608-06-0Downstream Products

21608-06-0Relevant articles and documents

Assessment and use of two silicon carbide multi-well plates for library synthesis and proteolytic digests using microwave heating

Stencel, Lauren M.,Kormos, Chad M.,Avery, Keri B.,Leadbeater, Nicholas E.

experimental part, p. 2452 - 2457 (2009/09/26)

The use of two silicon carbide plates is reported for the preparation of three libraries of organic molecules using microwave heating. In addition, a preliminary study has been carried out, showing that one of the plates can also be used in a proteomics setting. Both the 24-position and 48-position plates heated evenly when irradiated with microwave energy. The 48-position plate was used to prepare a library of N-aryl functionalized β-amino esters via an aza-Michael reaction between anilines and Michael acceptors. The 24-position plate was used to prepare a library of biaryls via a Suzuki coupling methodology and a library of 1,4-dihydropyridines via a Hantzsch synthesis. The 48-position plate was also used to perform the proteolytic digestion of insulin chain B by trypsin. The Royal Society of Chemistry 2009.

Use of a scientific microwave apparatus for rapid optimization of reaction conditions in a monomode function and then substrate screening in a multimode function

Leadbeater, Nicholas E.,Schmink, Jason R.

, p. 6764 - 6773 (2008/02/07)

Recently, a new apparatus has become available, which aims to bring together in one unit the advantages of a monomode and a multimode microwave device. We have assessed the applicability of the apparatus toward rapid optimization of reaction conditions in a monomode function and then substrate screening in a multimode function. We have also probed the effects of differences in microwave absorptivity of reaction mixtures on the product conversions in screening multiple substrates simultaneously in a multimode microwave apparatus. We find that when the microwave absorptivity of a reaction mixture is dictated by the solvent, there is little effect on the heating profile of varying the substrate in a screening run. However, this is not the case when reactions involving non-microwave absorbant solvents are used. In this case the characteristics of the substrate can affect significantly the outcome of the reaction.

Fast, easy, solvent-free, microwave-promoted Michael addition of anilines to α,β-unsaturated alkenes: synthesis of N-aryl functionalized β-amino esters and acids

Amore, Kristen M.,Leadbeater, Nicholas E.,Miller, Tyson A.,Schmink, Jason R.

, p. 8583 - 8586 (2007/10/03)

The rapid, simple, microwave-promoted synthesis of N-aryl functionalized β-amino esters using Michael addition reactions is presented. Reactions are performed neat at 200 °C for 20 min and are catalyzed by acetic acid. The esters can be easily hydrolyzed to the corresponding N-aryl functionalized β-amino acids.

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