N,N'-Bis[(alpha-methylbenzylidene)amino]malonamide

Base Information

• Chemical Name: N,N'-Bis[(alpha-methylbenzylidene)amino]malonamide
• CAS No.: 29816-51-1
• Molecular Formula: C₁₉H₂₀N₄O₂
• Molecular Weight: 336.393
• NSC Number: 243533
• DSSTox Substance ID: DTXSID10429642
• Nikkaji Number: J1.242.163J
• Mol file: 29816-51-1.mol

Synonyms:NSC243533;29816-51-1;DTXSID10429642;NSC-243533;N,N'-Bis[(alpha-methylbenzylidene)amino]malonamide

Chemical Property of N,N'-Bis[(alpha-methylbenzylidene)amino]malonamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 336.15862589
• Heavy Atom Count: 25
• Complexity: 470

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=O)CC(=O)NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2
• Isomeric SMILES: C/C(=N\NC(=O)CC(=O)N/N=C(/C1=CC=CC=C1)\C)/C2=CC=CC=C2

Technology Process of N,N'-Bis[(alpha-methylbenzylidene)amino]malonamide

There total 2 articles about N,N'-Bis[(alpha-methylbenzylidene)amino]malonamide 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:

malonic acid dihydrazide (3815-86-9) + acetophenone (98-86-2) → acetophenone malonoyldihydrazone (29816-51-1)

Guidance literature:

With ethanol; water;

Reference yield:

acetophenone (98-86-2) → acetophenone malonoyldihydrazone (29816-51-1)

Guidance literature:

Reference yield: 71.0%

acetophenone malonoyldihydrazone (29816-51-1) + zinc(II) chloride (7646-85-7,24359-56-6) → Zn(acetophenone malonoyldihydrazone)Cl2*2H2O

Guidance literature:

In ethanol; water; aq. ethanolic (1:1, v/v) soln. of ZnCl2 was reacted with equimol. amt. of ligand in EtOH at 25 °C; solid was filtered, washed several times with distd. water and EtOH, finally with ether, dried over anhyd. CaCl2, elem. anal.;

DOI:10.1080/00945710009351827

upstream raw materials:

malonic acid dihydrazide

acetophenone

Downstream raw materials:

CH₃C(C₆H₅)NNHC(O)CH₂C(O)NHNC(C₆H₅)CH₃Cu(SO₄)*H₂O