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(3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine is a complex organic compound that features a molecular structure with two 4-ethylpyridin-2-yl groups and an imino-isoindol-1-a mine group. As a derivative of isoindole, it contains two ethylpyridine substituents and is classified as an amine due to the presence of the amine functional group. (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine may hold potential applications in various fields such as medicinal chemistry, organic synthesis, or materials science, with its properties and reactivity being influenced by its specific molecular structure and environment.

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  • 1H-Isoindol-3-amine,N-(4-ethyl-2-pyridinyl)-1-[(4-ethyl-2-pyridinyl)imino]-

    Cas No: 61702-05-4

  • USD $ 1.9-2.9 / Gram

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  • 61702-05-4 Structure
  • Basic information

    1. Product Name: (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine
    2. Synonyms: (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine
    3. CAS NO:61702-05-4
    4. Molecular Formula: C22H21N5
    5. Molecular Weight: 355.44
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 61702-05-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 573.2°C at 760 mmHg
    3. Flash Point: 300.4°C
    4. Appearance: /
    5. Density: 1.2g/cm3
    6. Vapor Pressure: 3.82E-13mmHg at 25°C
    7. Refractive Index: 1.659
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine(61702-05-4)
    12. EPA Substance Registry System: (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine(61702-05-4)
  • 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: 61702-05-4(Hazardous Substances Data)

61702-05-4 Usage

Uses

Used in Medicinal Chemistry:
(3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine is used as a potential pharmaceutical candidate for the development of new drugs, given its unique molecular structure and the presence of the amine functional group, which can be exploited for interactions with biological targets.
Used in Organic Synthesis:
In the field of organic synthesis, (3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine can be utilized as a building block or intermediate in the synthesis of more complex organic molecules, taking advantage of its reactive sites and structural features.
Used in Materials Science:
(3E)-N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)imino-isoindol-1-a mine may also find applications in materials science, where its molecular structure could contribute to the development of new materials with specific properties, such as conductivity, stability, or responsiveness to stimuli.

Check Digit Verification of cas no

The CAS Registry Mumber 61702-05-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,7,0 and 2 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 61702-05:
(7*6)+(6*1)+(5*7)+(4*0)+(3*2)+(2*0)+(1*5)=94
94 % 10 = 4
So 61702-05-4 is a valid CAS Registry Number.
InChI:InChI=1/C22H21N5/c1-3-15-9-11-23-19(13-15)25-21-17-7-5-6-8-18(17)22(27-21)26-20-14-16(4-2)10-12-24-20/h5-14H,3-4H2,1-2H3,(H,23,24,25,26,27)

61702-05-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(4-ethylpyridin-2-yl)-3-(4-ethylpyridin-2-yl)iminoisoindol-1-amine

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 -
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More Details:61702-05-4 SDS

61702-05-4Downstream Products

61702-05-4Relevant articles and documents

Spin Crossover and Valence Tautomerism in Neutral Homoleptic Iron Complexes of Bis(pyridylimino)isoindolines

Scheja, Anne,Baabe, Dirk,Menzel, Dirk,Pietzonka, Clemens,Schweyen, Peter,Br?ring, Martin

, p. 14196 - 14204 (2015/09/28)

Homoleptic iron complexes of six bis(pyridylimino)isoindoline (bpi) ligands with different substituents (H, Me, Et, tBu, OMe, NMe2) at the 4-positions of the pyridine moieties have been prepared and studied with regard to temperature-dependent spin and redox states by a combination of 57Fe M?ssbauer spectroscopy, SQUID magnetometry, single-crystal X-ray diffraction analysis, X-band EPR, and 1H NMR spectroscopy. While the H-, methyl-, and ethyl-substituted complexes remain in a pure high-spin state irrespective of the temperature, the 4-tert-butyl-substituted derivative shows spin-crossover behavior. The methoxy- and dimethylamino-substituted compounds were found to easily undergo oxidation. In the crystalline state, valence tautomeric behavior was observed for the methoxy derivative as a thermally activated charge-transfer transition, accompanied by a spin crossover above 200 K. The valence tautomerism leads to a chelate with one of the bpi ligands as a dianion radical L2-. and with an effective spin of S=2.

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