1-(4-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea

Base Information

• Chemical Name: 1-(4-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea
• CAS No.: 16167-63-8
• Molecular Formula: C₁₅H₁₄FN₃OS
• Molecular Weight: 303.36
• NSC Number: 73239
• DSSTox Substance ID: DTXSID50420830
• Nikkaji Number: J2.275.092E
• Mol file: 16167-63-8.mol

Synonyms:NSC73239;16167-63-8;DTXSID50420830;NSC-73239;4-Methoxybenzaldehyde 4-(4-fluorophenyl)thiosemicarbazone

Chemical Property of 1-(4-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea

Chemical Property:

• Vapor Pressure: 2.39E-07mmHg at 25°C
• Boiling Point: 422.6°C at 760 mmHg
• Flash Point: 209.4°C
• Density: 1.22g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 303.08416141
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)F
• Isomeric SMILES: COC1=CC=C(C=C1)/C=N\NC(=S)NC2=CC=C(C=C2)F

Technology Process of 1-(4-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea

There total 2 articles about 1-(4-fluorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea 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:

4-fluorophenyl isothiocyanate (1544-68-9) → 4-methoxy-benzaldehyde 4-(4-fluoro-phenyl)-thiosemicarbazone (16167-63-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine / dichloromethane

2: ethanol / Reflux

With hydrazine; In ethanol; dichloromethane;

DOI:10.1080/14756366.2022.2041629

Reference yield:

4-(4-fluorophenyl)thiosemicarbazide (330-94-9) + 4-methoxy-benzaldehyde (123-11-5) → 4-methoxy-benzaldehyde 4-(4-fluoro-phenyl)-thiosemicarbazone (16167-63-8)

Guidance literature:

With acetic acid; In ethanol; Heating;

Reference yield:

2-bromophenylacetic acid (4870-65-9,31302-84-8) + 4-methoxy-benzaldehyde 4-(4-fluoro-phenyl)-thiosemicarbazone (16167-63-8) → 4-methoxy-benzaldehyde [3-(4-fluoro-phenyl)-4-oxo-5-phenyl-thiazolidin-2-ylidene]-hydrazone (16113-60-3)

Guidance literature:

With sodium acetate; In acetic acid;

upstream raw materials:

4-(4-fluorophenyl)thiosemicarbazide

4-methoxy-benzaldehyde

4-fluorophenyl isothiocyanate

Downstream raw materials:

4-methoxy-benzaldehyde [3-(4-fluoro-phenyl)-4-oxo-5-phenyl-thiazolidin-2-ylidene]-hydrazone

4-methoxy-benzaldehyde [5-ethyl-3-(4-fluoro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

4-methoxy-benzaldehyde [3-(4-fluoro-phenyl)-4-oxo-thiazolidin-2-ylidene]-hydrazone

4-methoxy-benzaldehyde [3-(4-fluoro-phenyl)-5-methyl-4-oxo-thiazolidin-2-ylidene]-hydrazone

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