2-Propenamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-3-phenyl-, (E)-

Base Information

• Chemical Name: 2-Propenamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-3-phenyl-, (E)-
• CAS No.: 89373-78-4
• Molecular Formula: C16H13ClN2OS
• Molecular Weight: 316.80500
• DSSTox Substance ID: DTXSID70359537

Synonyms:2-Propenamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-3-phenyl-, (E)-;89373-78-4;DTXSID70359537

Chemical Property of 2-Propenamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-3-phenyl-, (E)-

Chemical Property:

• PSA: 76.71000
• LogP: 4.77970
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 316.0437119
• Heavy Atom Count: 21
• Complexity: 386

Purity/Quality:

N-{[(4-chlorophenyl)amino]carbonothioyl}-3-phenylacrylamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)Cl

Technology Process of 2-Propenamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-3-phenyl-, (E)-

There total 1 articles about 2-Propenamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-3-phenyl-, (E)- 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%

trans-3-Phenylpropenoyl isothiocyanate (75861-69-7) + 4-chloro-aniline (106-47-8) → N-(4-chlorophenyl)-N'-(3-phenylpropenoyl)thiourea (89373-78-4)

Guidance literature:

In acetone; at 50 ℃; for 2h;

Reference yield: 78.0%

N-(4-chlorophenyl)-N'-(3-phenylpropenoyl)thiourea (89373-78-4) → 2-(4-chlorophenylimino)-2,3,5,6-tetrahydro-6-phenyl-4H-1,3-thiazin-4-one (115983-17-0)

Guidance literature:

With sodium ethanolate; In ethanol; Ambient temperature;

Reference yield: 55.0%

N-(4-chlorophenyl)-N'-(3-phenylpropenoyl)thiourea (89373-78-4) → 1-(4-chlorophenyl)-1,2,5,6-tetrahydro-6-phenyl-2-thioxo-4(3H)-pyrimidinone (115983-01-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 1h; Heating;

upstream raw materials:

trans-3-Phenylpropenoyl isothiocyanate

4-chloro-aniline

Downstream raw materials:

2-(4-Chlorophenyl)-5-benzylidenethiazolin-4-one

1-(4-chlorophenyl)-1,2,5,6-tetrahydro-6-phenyl-2-thioxo-4(3H)-pyrimidinone

2-(4-chlorophenylimino)-2,3,5,6-tetrahydro-6-phenyl-4H-1,3-thiazin-4-one

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