1-Acetylcyclohexene semicarbazone

Base Information

• Chemical Name: 1-Acetylcyclohexene semicarbazone
• CAS No.: 7499-13-0
• Molecular Formula: C9H15N3O
• Molecular Weight: 181.238
• DSSTox Substance ID: DTXSID30418699
• Mol file: 7499-13-0.mol

Synonyms:1-Acetylcyclohexene semicarbazone;Ketone, 1-cyclohexen-1-yl methyl, semicarbazone;DTXSID30418699;ZMSUFTFAMSCUBG-YRNVUSSQSA-N;(1E)-1-(1-Cyclohexen-1-yl)ethanone semicarbazone #

Chemical Property of 1-Acetylcyclohexene semicarbazone

Chemical Property:

• PSA: 67.48000
• Density: 1.196g/cm³
• LogP: 2.62220
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.121512110
• Heavy Atom Count: 13
• Complexity: 256

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)N)C1=CCCCC1
• Isomeric SMILES: C/C(=N\NC(=O)N)/C1=CCCCC1

Technology Process of 1-Acetylcyclohexene semicarbazone

There total 4 articles about 1-Acetylcyclohexene 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:

2-methyl-1-oxaspiro[2.5]octane-2-carbonitrile (98959-54-7) → <1-Semicarbazo-ethyl-(1)>-cyclohexen-(1) (7499-13-0)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl / diethyl ether

2: aq. NaOH

3: aq. NaOAc / ethanol

With hydrogenchloride; sodium hydroxide; sodium acetate; In diethyl ether; ethanol;

DOI:10.1021/ja01501a048

Reference yield:

2-Hydroxy-2-<1-Chlor-cyclohexyl-(1)>-propionitril (98841-10-2) → <1-Semicarbazo-ethyl-(1)>-cyclohexen-(1) (7499-13-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: aq. NaOAc / ethanol

With sodium hydroxide; sodium acetate; In ethanol;

DOI:10.1021/ja01501a048

Reference yield:

1-(1-chlorocyclohexyl)ethanone (1004-55-3) + semicarbazide hydrochloride (563-41-7) → <1-Semicarbazo-ethyl-(1)>-cyclohexen-(1) (7499-13-0)

Guidance literature:

With sodium acetate; In ethanol;

DOI:10.1021/ja01501a048

upstream raw materials:

1-cyclohexenyl methyl ketone

1-(1-chlorocyclohexyl)ethanone

semicarbazide hydrochloride

2-methyl-1-oxaspiro[2.5]octane-2-carbonitrile