Veratraldehyde (8CI), thiosemicarbazone

Base Information

• Chemical Name: Veratraldehyde (8CI), thiosemicarbazone
• CAS No.: 6292-77-9
• Molecular Formula: C10H13N3O2S
• Molecular Weight: 239.298
• NSC Number: 9940
• DSSTox Substance ID: DTXSID20424284
• ChEMBL ID: CHEMBL242115

Synonyms:3,4-DIMETHOXYBENZALDEHYDE THIOSEMICARBAZONE;6292-77-9;Veratraldehyde (8CI), thiosemicarbazone;ST001227;CHEMBL242115;Veratraldehyde, thiosemicarbazone;HMS556B17;DTXSID20424284;NSC9940;NSC-9940;STL481779;AKOS000304682;SR-01000195371;SR-01000195371-1;Z49561527;(2E)-2-(3,4-dimethoxybenzylidene)hydrazinecarbothioamide;Hydrazinecarbothioamide (9CI),4-dimethoxyphenyl)methylene]-;Hydrazinecarbothioamide, 2-[(3,4-dimethoxyphenyl)methylene]-

Chemical Property of Veratraldehyde (8CI), thiosemicarbazone

Chemical Property:

• Vapor Pressure: 4.35E-06mmHg at 25°C
• Boiling Point: 383.6°Cat760mmHg
• Flash Point: 185.8°C
• Density: 1.25g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 239.07284784
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Veratraldehyde (8CI), thiosemicarbazone

There total 2 articles about Veratraldehyde (8CI), thiosemicarbazone 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: 92.8%

3,4-dimethoxy-benzaldehyde (120-14-9) + thiosemicarbazide (79-19-6) → 2-(3,4-dimethoxybenzylidene)hydrazine-1-carbothioamide (6292-77-9)

Guidance literature:

In ethanol; water; Reflux;

DOI:10.1248/cpb.c14-00616

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → 2-(3,4-dimethoxybenzylidene)hydrazine-1-carbothioamide (6292-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethylformamide

2: acetic acid / ethanol / 0.25 h / Heating

With potassium carbonate; acetic acid; In ethanol; N,N-dimethyl-formamide;

Reference yield: 97.0%

2-(3,4-dimethoxybenzylidene)hydrazine-1-carbothioamide (6292-77-9) + α-bromoacetophenone (70-11-1) → (E)-2-(2-(3,4-dimethoxybenzylidene)hydrazinyl)-4-phenylthiazole

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1080/17415993.2015.1114621

upstream raw materials:

3,4-dimethoxy-benzaldehyde

thiosemicarbazide

3,4-dihydroxybenzaldehyde

Downstream raw materials:

N₂-(3,4-dimethoxybenzyl)thiosemicarbazide

2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole

5-(3,4-Dimethoxybenzylidenhydrazono)-3,3-pentamethylen-1,2,4-thiadiazolidin

2-chloro-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole

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