(E)-3-(4-methylphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide

Base Information

• Chemical Name: (E)-3-(4-methylphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide
• CAS No.: 5554-57-4
• Molecular Formula: C₁₈H₁₉NO
• Molecular Weight: 265.355
• DSSTox Substance ID: DTXSID00360277
• Wikidata: Q82141938
• Mol file: 5554-57-4.mol

Synonyms:5554-57-4;(E)-3-(4-methylphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide;BAS 00331769;DTXSID00360277;SMSF0006133;AKOS000584094;CB11192;BIM-0008269.P001;4-[({[3-(4-METHYLPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-1-BENZENESULFONAMIDE

Chemical Property of (E)-3-(4-methylphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.406g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 375.07113376
• Heavy Atom Count: 25
• Complexity: 597

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
• Isomeric SMILES: CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Technology Process of (E)-3-(4-methylphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide

There total 23 articles about (E)-3-(4-methylphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

benzaldehyde (100-52-7) + butanone (78-93-3) → 2,6-diphenyl-3-methyl-4-piperidone (5554-57-4,39653-68-4,54716-97-1,149116-43-8)

Guidance literature:

With ammonium acetate; In ethanol; at 70 ℃; for 1h; Solvent; Temperature;

DOI:10.1016/j.jorganchem.2019.04.004

Reference yield: 90.0%

3-methyl-2,6-diphenylpiperidin-4-one semicarbazone (201335-57-1) → 2,6-diphenyl-3-methyl-4-piperidone (5554-57-4,39653-68-4,54716-97-1,149116-43-8)

Guidance literature:

With quinolinium flurochromate; for 0.25h; Microwave irradiation;

DOI:10.14233/ajchem.2017.20786

Reference yield: 90.0%

3-methyl-2,6-diphenyl piperidin-4-one oxime → 2,6-diphenyl-3-methyl-4-piperidone (5554-57-4,39653-68-4,54716-97-1,149116-43-8)

Guidance literature:

With montmorillonite K₁₀; In neat (no solvent); for 0.25h; Microwave irradiation;

DOI:10.14233/ajchem.2017.20787

upstream raw materials:

benzaldehyde

butanone

t⁽³⁾-methyl-r⁽²⁾,c⁽⁶⁾-diphenylpiperidin-4-one

3-methyl-cis-2,6-diphenyl-4-piperidone hydrochloride

Downstream raw materials:

1-cyano-3e-methyl-2e,6e-diphenyl-4-piperidone

[Dy(C₅NH₆(C₆H₅)2CH₃O)(NO₃)2(H₂O)2]⁽¹⁺⁾*NO₃^(1-)=[Dy(C₅NH₆(C₆H₅)2CH₃O)(NO₃)2(H₂O)2]NO₃

3-Methyl-2,6-diphenyl-piperidin-4-one oxime

Refernces

• 1、 Anand, Selvam Athavan Alias,George, Kiran,Thomas, Nisha Susan,Kabilan, Senthamaraikannan. "Synthesis, characterization and antitumor activities of some novel thiazinones and thiosemicarbazones derivatives". supporting information. p. 821 - 829. Retrieved 2020/05/22.
• 2、 Sangeetha,Sankar,Tharini. "New thiazoldinone substituted 2,6-diarypiperidin-4-one: Synthesis, crystal structure, spectral characterization, binding mode with calf thymus DNA". . . Retrieved 2019/08/20.