1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone

Base Information

• Chemical Name: 1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone
• CAS No.: 7762-93-8
• Molecular Formula: C₁₆H₁₅N₃O₂S
• Molecular Weight: 313.38
• European Community (EC) Number: 656-618-1
• DSSTox Substance ID: DTXSID50425961
• ChEMBL ID: CHEMBL3213241
• Mol file: 7762-93-8.mol

Synonyms:7762-93-8;1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone;1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methylphenyl)thiourea;AN-329/40357688;MLS000702620;CHEMBL3213241;DTXSID50425961;WHXVLLXWJCZVGM-RQZCQDPDSA-N;STK024795;AKOS000486255;SMR000228665;(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(3-methylphenyl)hydrazinecarbothioamide

Chemical Property of 1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 313.08849790
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

1,3-benzodioxole-5-carbaldehydeN-(3-methylphenyl)thiosemicarbazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC(=S)NN=CC2=CC3=C(C=C2)OCO3
• Isomeric SMILES: CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC3=C(C=C2)OCO3

Technology Process of 1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone

There total 1 articles about 1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)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:

→ benzo[1,3]dioxole-5-carbaldehyde 4-m-tolyl-thiosemicarbazone (7762-93-8)

Guidance literature:

4-m-Tolyl-thiosemicarbazid, A., Benzo<1,3>-dioxol-5-carbaldehyd, A., Eg., Erwaermen;

Reference yield:

benzo[1,3]dioxole-5-carbaldehyde 4-m-tolyl-thiosemicarbazone (7762-93-8) + chloroacetic acid (79-11-8) → benzo[1,3]dioxole-5-carbaldehyde (4-oxo-3-m-tolyl-thiazolidin-2-ylidene)-hydrazone (7701-20-4)

Guidance literature:

Reference yield:

benzo[1,3]dioxole-5-carbaldehyde 4-m-tolyl-thiosemicarbazone (7762-93-8) + (R,S)-2-chloropropionic acid (598-78-7) → benzo[1,3]dioxole-5-carbaldehyde (5-methyl-4-oxo-3-m-tolyl-thiazolidin-2-ylidene)-hydrazone (7701-37-3)

Guidance literature:

Downstream raw materials:

benzo[1,3]dioxole-5-carbaldehyde (4-oxo-3-m-tolyl-thiazolidin-2-ylidene)-hydrazone

benzo[1,3]dioxole-5-carbaldehyde (5-methyl-4-oxo-3-m-tolyl-thiazolidin-2-ylidene)-hydrazone

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