4-Methoxybenzaldehyde N-phenylthiosemicarbazone

Base Information

• Chemical Name: 4-Methoxybenzaldehyde N-phenylthiosemicarbazone
• CAS No.: 342631-66-7
• Molecular Formula: C₁₅H₁₅N₃OS
• Molecular Weight: 285.37
• European Community (EC) Number: 667-778-7
• NSC Number: 213879
• UNII: 9VLA4QJS9D
• Wikidata: Q76311586
• ChEMBL ID: CHEMBL252966
• Mol file: 342631-66-7.mol

Synonyms:4-Methoxybenzaldehyde N-phenylthiosemicarbazone;74959-64-1;NSC213879;NSC 213879;1-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylthiourea;NSC-213879;anisaldehyde-4-phenylthiosemicarbazone;9VLA4QJS9D;MLS000710328;CHEMBL252966;(2E)-2-[(4-Methoxyphenyl)methylene]-N-phenylhydrazinecarbothioamide;AKOS000659517;p-Anisaldehyde 4-phenylthiosemicarbazone;NCGC00245366-01;342631-66-7;Anisaldehyde 4-phenyl-3-thiosemicarbazone;SMR000279103;SR-01000310511;SR-01000310511-1;1-[(4-methoxyphenyl)methylideneamino]-3-phenylthiourea;2-(4-Methoxybenzylidene)-N-phenylhydrazinecarbothioamide;1-[(E)-(4-methoxyphenyl)methyleneamino]-3-phenyl-thiourea;1-[(E)-[(4-methoxyphenyl)methylidene]amino]-3-phenylthiourea;2-[(4-Methoxyphenyl)methylene]-N-phenylhydrazinecarbothioamide;Hydrazinecarbothioamide, 2-[(4-methoxyphenyl)methylene]-N-phenyl-;Hydrazinecarbothioamide, 2-[(4-methoxyphenyl)methylene]-N-phenyl-, (2E)-;N'-{[(4-methoxyphenyl)methylidene]amino}-N-phenylcarbamimidothioic acid

Chemical Property of 4-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: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Methoxybenzaldehyde N-phenylthiosemicarbazone

There total 1 articles about 4-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%

4-methoxy-benzaldehyde (123-11-5) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → C15H15N3OS (342631-66-7)

Guidance literature:

With acetic acid; In ethanol; water; Heating;

DOI:10.1016/j.bmc.2007.09.025

Reference yield: 76.0%

diphenylcyclopropenone (886-38-4) + C15H15N3OS (342631-66-7) → [6,7-diphenyl-5-(4'-methoxyphenyl)-pyrrolo[2,1-b]oxadiazolyl]-2-phenylamine (1039114-60-7)

Guidance literature:

With acetic acid; Heating;

DOI:10.1016/j.tetlet.2008.04.066

Reference yield: 70.0%

C15H15N3OS (342631-66-7) → 3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole (70187-22-3)

Guidance literature:

With copper(ll) bromide; In dimethyl sulfoxide; at 80 ℃; for 2h;

DOI:10.1021/acs.joc.5b00956

upstream raw materials:

4-methoxy-benzaldehyde

4-Phenyl-3-thiosemicarbazide

Downstream raw materials:

[6,7-diphenyl-5-(4'-methoxyphenyl)-pyrrolo[2,1-b]oxadiazolyl]-2-phenylamine

5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

3-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole