3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid

Base Information

• Chemical Name: 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid
• CAS No.: 18612-39-0
• Molecular Formula: C₂₅H₂₇Cl₂N₅O₂S
• Molecular Weight: 532.494
• DSSTox Substance ID: DTXSID70940045
• Mol file: 18612-39-0.mol

Synonyms:DTXSID70940045;18612-39-0;3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid

Chemical Property of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid

Chemical Property:

• Density: 1.31g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 531.1262517
• Heavy Atom Count: 35
• Complexity: 701

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC(=O)NN=CC3=C(C=C(C=C3)N(CCCl)CCCl)C

Technology Process of 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid

There total 1 articles about 3-[({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)hydrazinylidene]-3-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanimidic acid 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:

4-[bis-(2-chloro-ethyl)-amino]-2-methyl-benzaldehyde (26459-95-0) + N-(4-p-tolyl-thiazol-2-yl)-malonamic acid hydrazide (18612-31-2) → N-(4-p-tolyl-thiazol-2-yl)-malonamic acid {4-[bis-(2-chloro-ethyl)-amino]-2-methyl-benzylidene}-hydrazide (18612-39-0)

Guidance literature:

In ethanol; at 70 ℃;

DOI:10.1021/jm00307a037

upstream raw materials:

4-[bis-(2-chloro-ethyl)-amino]-2-methyl-benzaldehyde

N-(4-p-tolyl-thiazol-2-yl)-malonamic acid hydrazide