3-Methoxybenzaldehyde thiosemicarbazone

Base Information

• Chemical Name: 3-Methoxybenzaldehyde thiosemicarbazone
• CAS No.: 51146-74-8
• Molecular Formula: C9H11 N3 O S
• Molecular Weight: 209.272
• NSC Number: 69594
• DSSTox Substance ID: DTXSID40418766
• ChEMBL ID: CHEMBL241894
• Mol file: 51146-74-8.mol

Synonyms:3-Methoxybenzaldehyde thiosemicarbazone;51146-74-8;[(E)-(3-methoxyphenyl)methylideneamino]thiourea;[(3-methoxyphenyl)methylideneamino]thiourea;CHEMBL241894;DTXSID40418766;NSC69594;BDBM50356192;NSC-69594;AKOS000304426;2-(3-Methoxybenzylidene)Hydrazinecarbothioamide;AF-960/00472018;SR-01000076285;SR-01000076285-1;Z49561668

Chemical Property of 3-Methoxybenzaldehyde thiosemicarbazone

Chemical Property:

• Vapor Pressure: 1.73E-05mmHg at 25°C
• Boiling Point: 364°Cat760mmHg
• Flash Point: 174°C
• PSA: 91.73000
• Density: 1.23g/cm³
• LogP: 1.95350
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.06228316
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

3-METHOXYBENZALDEHYDE THIOSEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxybenzaldehyde thiosemicarbazone

There total 3 articles about 3-Methoxybenzaldehyde 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: 75.0%

2,4-bis(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one (1005043-75-3) + thiosemicarbazide (79-19-6) → 3'-methoxybenzaldehyde thiosemicarbazone (51146-74-8) + C23H28N4O2S (1228657-86-0)

Guidance literature:

In ethanol; chloroform; at 80 ℃; for 3h; Acidic conditions;

DOI:10.1016/j.bmcl.2009.03.093

Reference yield: 73.0%

thiosemicarbazide (79-19-6) + 3-methoxy-benzaldehyde (591-31-1) → (E)-1-(3-methoxybenzylidene)thiosemicarbazide (51146-74-8)

Guidance literature:

With sulfuric acid; In ethanol; Reflux;

DOI:10.1016/j.ejmech.2011.09.009

Reference yield:

thiosemicarbazide (79-19-6) + 3-methoxy-benzaldehyde (591-31-1) → 3'-methoxybenzaldehyde thiosemicarbazone (51146-74-8)

Guidance literature:

In ethanol; Reflux;

DOI:10.1016/j.bmc.2009.10.051

upstream raw materials:

thiosemicarbazide

3-methoxy-benzaldehyde

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

Downstream raw materials:

5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

[5-(3-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-hydrazine; hydrochloride

2-Chloro-5-(3-methoxy-phenyl)-[1,3,4]thiadiazole

(E)?3?(2?(2?(3?methoxybenzylidene)hydrazinyl)thiazol?4?yl)?2H?chromen?2?one