(2E,5E)-2,5-Hexanedione dioxime

Base Information

• Chemical Name: (2E,5E)-2,5-Hexanedione dioxime
• CAS No.: 2157-57-5
• Molecular Formula: C6H12N2O2
• Molecular Weight: 144.173
• NSC Number: 7307
• ChEMBL ID: CHEMBL1981752
• Mol file: 2157-57-5.mol

Synonyms:Acetonylacetone dioxime;NSC7307;2157-57-5;NSC-7307;SCHEMBL1268269;CHEMBL1981752;NCI7307;ARJRNJXEXXHYDU-KQQUZDAGSA-N;(2E,5E)-2,5-Hexanedione dioxime;CCG-37637;AKOS006273872;(2E,5E)-2,5-Hexanedione dioxime #

Chemical Property of (2E,5E)-2,5-Hexanedione dioxime

Chemical Property:

• Vapor Pressure: 6.63E-05mmHg at 25°C
• Boiling Point: 320.4°Cat760mmHg
• Flash Point: 195.8°C
• Density: 1.09g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 144.089877630
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)CCC(=NO)C
• Isomeric SMILES: C/C(=N\O)/CC/C(=N/O)/C

Technology Process of (2E,5E)-2,5-Hexanedione dioxime

There total 5 articles about (2E,5E)-2,5-Hexanedione 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: 86.0%

2,5-hexanedione (110-13-4) → 2,5-hexanedione bisoxime (2157-57-5)

Guidance literature:

2,5-hexanedione; With hydroxylamine hydrochloride; In water; at 0 - 20 ℃; for 0.5h;

With potassium carbonate; In water;

DOI:10.1002/cplu.201300014

Reference yield:

3,6-dimethyl-1-phenyl-6-phenylazo-1,4,5,6-tetrahydro-pyridazine (52402-38-7) → 2,5-hexanedione bisoxime (2157-57-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol;

DOI:10.1007/BF00911311

Reference yield:

2,5-Dimethylpyrrole (625-84-3) → 2,5-hexanedione bisoxime (2157-57-5)

Guidance literature:

With hydroxylamine;

upstream raw materials:

2,5-Dimethylpyrrole

3,6-dimethyl-1-phenyl-6-phenylazo-1,4,5,6-tetrahydro-pyridazine

ethanol

hydroxylamine

Downstream raw materials:

2,5-hexanedione

rac-N,N'-dibenzoyl-2,5-hexanediamine

meso-N,N'-dibenzoyl-2,5-hexanediamine

(-)-N,N'-dibenzoyl-2,5-hexanediamine

Refernces

• 1、 Trofimov, Boris A.,Zaitsev, Alexey B.,Schmidt, Elena Yu.,Vasil'tsov, Alexander M.,Mikhaleva, Al'bina I.,Ushakov, Igor' A.,Vashchenko, Alexander V.,Zorina, Nadezhda V.. "From 1,4-diketones to N-vinyl derivatives of 3,3′-bipyrroles and 4,8-dihydropyrrolo[2,3-f]indole in just two preparative steps". . p. 3789 - 3791. Retrieved 2007/10/03.