Isopropyl methyl ketone semicarbazone

Base Information

• Chemical Name: Isopropyl methyl ketone semicarbazone
• CAS No.: 617-67-4
• Molecular Formula: C6H13N3O
• Molecular Weight: 143.189
• DSSTox Substance ID: DTXSID30977271
• Mol file: 617-67-4.mol

Synonyms:617-67-4;DTXSID30977271;isopropyl methyl ketone semicarbazone;AKOS017263420;2-(3-Methylbutan-2-ylidene)hydrazine-1-carboximidic acid

Chemical Property of Isopropyl methyl ketone semicarbazone

Chemical Property:

• Density: 1.1g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.105862047
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=NNC(=O)N)C

Technology Process of Isopropyl methyl ketone semicarbazone

There total 2 articles about Isopropyl methyl ketone semicarbazone 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: 46.0%

3-methyl-butan-2-one (563-80-4) + semicarbazide hydrochloride (563-41-7) → 3-methyl-butan-2-one semicarbazone (617-67-4)

Guidance literature:

semicarbazide hydrochloride; With sodium acetate; In ethanol; at 20 ℃; for 0.25h;

3-methyl-butan-2-one; In ethanol; at 20 ℃;

Reference yield:

3-methyl-butan-2-one (563-80-4) → 3-methyl-butan-2-one semicarbazone (617-67-4)

Guidance literature:

DOI:10.1039/jr9550003389

Reference yield: 92.0%

3-methyl-butan-2-one semicarbazone (617-67-4) → 3-methyl-butan-2-one (563-80-4)

Guidance literature:

With (Bu₄N)₂S₂O₈; In 1,2-dichloro-ethane; at 80 ℃; for 1.5h;

DOI:10.1080/00397910008086869

upstream raw materials:

3-methyl-butan-2-one

semicarbazide hydrochloride

Downstream raw materials:

3-methyl-butan-2-one

3-Isopropyl-3-methyl-2-oxo-2,3-dihydro-indole-1-carboxylic acid phenylamide

Refernces

Spectroscopic evaluation of manganese(II) complexes derived from semicarbazones and thiosemicarbazones

10.1016/j.saa.2004.08.028

The research aims to synthesize and characterize manganese(II) complexes with ligands derived from semicarbazones and thiosemicarbazones. The study investigates the magnetic, electronic, and structural properties of these complexes to understand their potential applications in catalysis and biological systems. The key chemicals used include isopropyl methyl ketone semicarbazone (LLA), isopropyl methyl ketone thiosemicarbazone (LLB), 4-aminoacetophenone semicarbazone (LLC), and 4-aminoacetophenone thiosemicarbazone (LLD), which act as ligands, and manganese(II) salts such as MnCl2 and MnSO4. Isopropyl methyl ketone semicarbazone (LLA) plays a crucial role as one of the ligands used to form manganese(II) complexes. Specifically, LLA is used to create the complex [Mn(LLA)2Cl2], which is one of the primary subjects of the study. The purpose of using LLA is to investigate its coordination behavior with manganese(II) ions and to understand the resulting structural and electronic properties of the complex. The complexes were characterized using various spectroscopic techniques, including elemental analysis, molar conductance, magnetic susceptibility, EI-mass spectrometry, 1H NMR, IR, EPR, and electronic spectroscopy. The results showed that all complexes exhibit magnetic moments corresponding to five unpaired electrons, indicating a high-spin configuration. The geometries of the complexes were assigned based on spectral data, suggesting octahedral coordination for chloride complexes and tetrahedral coordination for sulfate complexes.