4-(DIMETHYLAMINO)BENZALDEHYDE THIOSEMICARBAZONE

Base Information

• Chemical Name: 4-(DIMETHYLAMINO)BENZALDEHYDE THIOSEMICARBAZONE
• CAS No.: 2929-81-9
• Molecular Formula: C10H14 N4 S
• Molecular Weight: 222.314
• Hs Code.: 2930909090
• NSC Number: 3266
• Wikidata: Q76306183
• Pharos Ligand ID: 34QRB79H5WZL
• ChEMBL ID: CHEMBL241902
• Mol file: 2929-81-9.mol

Synonyms:Benzaldehyde,p-(dimethylamino)-, thiosemicarbazone (6CI,7CI,8CI);4-(Dimethylamino)benzaldehyde thiosemicarbazone; NSC 3266; SQ 2403;p-((Dimethylamino)benzylidene)thiosemicarbazide; p-(Dimethylamino)benzaldehydethiosemicarbazone

Chemical Property of 4-(DIMETHYLAMINO)BENZALDEHYDE THIOSEMICARBAZONE

Chemical Property:

• Vapor Pressure: 6.67E-06mmHg at 25°C
• Boiling Point: 377.6°C at 760 mmHg
• Flash Point: 182.2°C
• PSA: 85.74000
• Density: 1.17g/cm³
• LogP: 2.01090
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.09391764
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

2-([4-(DIMETHYLAMINO)PHENYL]METHYLENE)-1-HYDRAZINECARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(DIMETHYLAMINO)BENZALDEHYDE THIOSEMICARBAZONE

There total 3 articles about 4-(DIMETHYLAMINO)BENZALDEHYDE 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: 89.0%

thiosemicarbazide (79-19-6) + 4-dimethylamino-benzaldehyde (100-10-7) → 4-(N,N-dimethylamino)benzaldehyde thiosemicarbazone (2929-81-9)

Guidance literature:

In methanol; for 6h; Reflux;

DOI:10.1021/acs.inorgchem.0c00467

Reference yield: 76.0%

thiosemicarbazide hydrochloride (4346-94-5) + 4-dimethylamino-benzaldehyde (100-10-7) → 4-(N,N-dimethylamino)benzaldehyde thiosemicarbazone (2929-81-9)

Guidance literature:

With sodium acetate; In water; at 20 ℃;

DOI:10.1016/j.bmcl.2011.08.022

Reference yield:

→ 4-(N,N-dimethylamino)benzaldehyde thiosemicarbazone (2929-81-9)

Guidance literature:

/BRN= 3442940/;

upstream raw materials:

thiosemicarbazide

4-dimethylamino-benzaldehyde

thiosemicarbazide hydrochloride

Downstream raw materials:

5-methyl-thiazolidine-2,4-dione-2-(4-dimethylamino-benzylidenehydrazone)

4-dimethylamino-benzaldehyde (4-oxo-thiazolidin-2-ylidene)-hydrazone

2-(4-N,N-dimethylaminobenzylidenehydrazono)-1,3-thiazolidin-4-one-5-acetic acid

4-dimethylamino-benzaldehyde (4-oxo-5-propyl-thiazolidin-2-ylidene)-hydrazone