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ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE is a complex organic chemical compound characterized by the presence of an ethyl group, a cyano group, two phenyl groups, a thioxo group, and a tetrahydro-3-pyridinecarboxylate moiety. Its unique molecular structure suggests that it may exhibit a range of chemical properties and have potential applications in various fields.

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  • ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE

    Cas No: 105199-50-6

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  • Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

    Cas No: 105199-50-6

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  • 105199-50-6 Structure
  • Basic information

    1. Product Name: ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE
    2. Synonyms: ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE;Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydropyridine-3-carboxylate
    3. CAS NO:105199-50-6
    4. Molecular Formula: C21H18N2O2S
    5. Molecular Weight: 362.44
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105199-50-6.mol
  • Chemical Properties

    1. Melting Point: 118-121°C
    2. Boiling Point: 555.8°Cat760mmHg
    3. Flash Point: 289.9°C
    4. Appearance: /
    5. Density: 1.28g/cm3
    6. Vapor Pressure: 2.16E-12mmHg at 25°C
    7. Refractive Index: 1.651
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE(105199-50-6)
    12. EPA Substance Registry System: ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE(105199-50-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 105199-50-6(Hazardous Substances Data)

105199-50-6 Usage

Uses

Used in Pharmaceutical Research:
ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE is used as a research compound for exploring its potential pharmaceutical applications. Its unique structure may offer new avenues for drug discovery and development.
Used in Organic Synthesis:
In the field of organic synthesis, ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE serves as a valuable intermediate or building block for the synthesis of more complex organic molecules. Its diverse functional groups can be utilized in various synthetic reactions to create novel compounds with specific properties.
Used as a Precursor in Synthesis:
ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE is used as a precursor in the synthesis of other complex molecules. Its unique structure and functional groups make it a promising candidate for the development of new compounds with specific applications in various industries.
Note: The specific applications and uses of ETHYL 5-CYANO-2,4-DIPHENYL-6-THIOXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE would depend on further research and exploration to determine its properties and potential.

Check Digit Verification of cas no

The CAS Registry Mumber 105199-50-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,1,9 and 9 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 105199-50:
(8*1)+(7*0)+(6*5)+(5*1)+(4*9)+(3*9)+(2*5)+(1*0)=116
116 % 10 = 6
So 105199-50-6 is a valid CAS Registry Number.
InChI:InChI=1/C21H18N2O2S/c1-2-25-21(24)18-17(14-9-5-3-6-10-14)16(13-22)20(26)23-19(18)15-11-7-4-8-12-15/h3-12,16-17H,2H2,1H3,(H,23,26)/t16-,17-/m0/s1

105199-50-6SDS

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 ethyl 3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

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:105199-50-6 SDS

105199-50-6Relevant articles and documents

PREPARATION AND PROPERTIES OF PIPERIDINE SALTS OF 6-HYDROXY-4,6-DIARYL-5-ETHOXYCARBONYL-3-CYANOPIPERIDINE-2-THIONES

Krauze, A. A.,Liepin'sh, E. E.,Pelcher, Yu. E.,Kalme, Z. A.,Dubur, G. Ya.

, p. 61 - 65 (2007/10/02)

Alkylation of piperidine salts of 6-hydroxy-4,6-diaryl-5-ethoxycarbonyl-3-cyanopiperidine-2(1H)-thiones yielded 6-hydroxy-2-alkylthio-4,6-diaryl-5-ethoxycarbonyl-3-cyano-3,4,5,6-tetrahydropyridines which were dehydrogenated with the formation of 2-methylthio-1,4- and 4,5-dihydropyridines.The oxidation of the compounds prepared has been studied.

Synthesis of Heterocyclic Compounds, L. - Preparation of Ethyl 2,4-Diaryl-5-cyano-1,6-dihydro-6-thioxo-3-pyridinecarboxylates from Ethyl α-Benzoylcinnamates

Rubio, Maria J.,Seoane, Carlos,Soto, Jose L.,Susaeta, Ana

, p. 210 - 220 (2007/10/02)

Die Umsetzung von α-Benzoylzimtsaeure-ethylestern 2 mit Cyanthioacetamid (1) in Methanol/Natriummethanolat fuehrt zu den Natriumsalzen der 2,4-Diaryl-5-cyan-1,2,3,4-tetrahydro-2-hydroxy-6-mercapto-3-pyridincarbonsaeure-ethylester 3.Diese koennen zu Methylthio-Derivaten 4 methyliert oder zu Dihydropyridonen 5 dehydratisiert werden.Die Verbindungen 4 werden mittels Nitrosylschwefelsaeure zu den entsprechenden aromatischen 2-(Methylthio)pyridinen oxidiert.Andererseits fuehrt eine aehnliche Behandlung der Derivate 5 zwar zu Aromatisierung, aber isoliert werden die Disulfide 6.Reduktion dieser Disulfide ergibt 2-Thiopyridone 7, woraus die zu gehoerigen 2-Pyridone 9 hergestellt werden koennen.Diese Produkte entstehen auch bei der basischen Hydrolyse von (Methylthio)pyridinen 8.

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