4-Carboxy-benzaldehyd-thiosemicarbazon

Base Information

• Chemical Name: 4-Carboxy-benzaldehyd-thiosemicarbazon
• CAS No.: 122-92-9
• Molecular Formula: C9H9N3O2S
• Molecular Weight: 223.255
• DSSTox Substance ID: DTXSID801186394
• Mol file: 122-92-9.mol

Synonyms:DTXSID801186394;4-Carboxy-benzaldehyd-thiosemicarbazon;122-92-9;4-[[2-(Aminothioxomethyl)hydrazinylidene]methyl]benzoic acid

Chemical Property of 4-Carboxy-benzaldehyd-thiosemicarbazon

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.04154771
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NNC(=S)N)C(=O)O

Technology Process of 4-Carboxy-benzaldehyd-thiosemicarbazon

There total 4 articles about 4-Carboxy-benzaldehyd-thiosemicarbazon 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: 91.0%

4-Carboxybenzaldehyde (619-66-9) + thiosemicarbazide (79-19-6) → (4-carboxybenzylidenehydrazinyl)thiocarboxamide (122-92-9)

Guidance literature:

In ethanol; for 1.5h; Reflux;

DOI:10.1021/jm800869t

Reference yield:

4-cyanobenzaldehyde (105-07-7) → (4-carboxybenzylidenehydrazinyl)thiocarboxamide (122-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl; acetic acid

2: aqueous ethanol

With hydrogenchloride; ethanol; acetic acid;

DOI:10.1021/ja01147a007

Reference yield:

4-thiosemicarbazonomethyl-benzoic acid ethyl ester (40104-09-4) → (4-carboxybenzylidenehydrazinyl)thiocarboxamide (122-92-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

4-thiosemicarbazonomethyl-benzoic acid ethyl ester

4-Carboxybenzaldehyde

thiosemicarbazide

4-cyanobenzaldehyde

Downstream raw materials:

4-(5-amino-[1,3,4]thiadiazol-2-yl)-benzoic acid