3-Methoxybenzaldehyde N-phenylthiosemicarbazone

Base Information

• Chemical Name: 3-Methoxybenzaldehyde N-phenylthiosemicarbazone
• CAS No.: 74959-59-4
• Molecular Formula: C₁₅H₁₅N₃OS
• Molecular Weight: 285.37
• European Community (EC) Number: 655-883-0
• ChEMBL ID: CHEMBL254313
• Mol file: 74959-59-4.mol

Synonyms:CHEMBL254313;AKOS003416659;3-methoxybenzaldehyde 4-phenyl-3-thiosemicarbazone;3-METHOXYBENZALDEHYDE N-PHENYLTHIOSEMICARBAZONE;1-[(E)-(3-methoxyphenyl)methyleneamino]-3-phenyl-thiourea

Chemical Property of 3-Methoxybenzaldehyde N-phenylthiosemicarbazone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 285.09358328
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Methoxybenzaldehyde N-phenylthiosemicarbazone

There total 3 articles about 3-Methoxybenzaldehyde N-phenylthiosemicarbazone 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: 94.0%

3-methoxy-benzaldehyde (591-31-1) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → 3-methoxy-benzaldehyde-(4-phenyl thiosemicarbazone) (74959-59-4)

Guidance literature:

With acetic acid; In ethanol; water; Heating;

DOI:10.1016/j.bmc.2007.09.025

Reference yield: 79.0%

2,4-bis(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one (1005043-75-3) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → (E)-1-(3-methoxybenzylidene)-4-phenylthiosemicarbazide (74959-59-4) + C29H32N4O2S

Guidance literature:

In ethanol; chloroform; at 90 - 100 ℃; for 96h; Acidic conditions;

DOI:10.3109/14756366.2010.525508

Reference yield:

phenyl isothiocyanate (103-72-0) → 3-methoxy-benzaldehyde-(4-phenyl thiosemicarbazone) (74959-59-4)

Guidance literature:

With ethanol;

DOI:10.1111/1468-0483.00178

upstream raw materials:

phenyl isothiocyanate

3-methoxy-benzaldehyde

4-Phenyl-3-thiosemicarbazide

2,4-bis(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one