1,3-Cyclohexadione dioxime

Base Information

• Chemical Name: 1,3-Cyclohexadione dioxime
• CAS No.: 2802-07-5
• Molecular Formula: C6H10N2O2
• Molecular Weight: 142.158
• NSC Number: 337996
• Nikkaji Number: J1.199.635C
• Mol file: 2802-07-5.mol

Synonyms:NSC337996;1,3-Cyclohexadione dioxime;AKOS024377831;NSC-337996;2802-07-5

Chemical Property of 1,3-Cyclohexadione dioxime

Chemical Property:

• Vapor Pressure: 1.01E-05mmHg at 25°C
• Boiling Point: 346.5°Cat760mmHg
• Flash Point: 215.8°C
• Density: 1.36g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 142.074227566
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NO)CC(=NO)C1
• Isomeric SMILES: C1C/C(=N/O)/C/C(=N\O)/C1

Technology Process of 1,3-Cyclohexadione dioxime

There total 2 articles about 1,3-Cyclohexadione dioxime 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: 97.0%

1,3-cylohexanedione (504-02-9) → 1,3-cyclohexanedionedioxime (2802-07-5)

Guidance literature:

1,3-cylohexanedione; With hydroxylamine hydrochloride; In water; at 0 - 20 ℃; for 0.5h;

With potassium carbonate; In water;

DOI:10.1002/cplu.201300014

Reference yield:

→ 1,3-cyclohexanedionedioxime (2802-07-5)

Guidance literature:

With water; mercury(II) oxide;

Reference yield: 98.0%

1,3-cyclohexanedionedioxime (2802-07-5) + p-toluenesulfonyl chloride (98-59-9) → C13H15ClN2O3S

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.02.048

upstream raw materials:

1,3-cylohexanedione

Downstream raw materials:

1,3-diaminocyclohexane

cis-cyclohexane-1,2-diamine

trans-cyclohexane-1,3-diamine

(1R,3S)-cyclohexane-1,3-diamine