N-[3,5-bis(hydroxyimino)cyclohexylidene]hydroxylamine

Base Information

• Chemical Name: N-[3,5-bis(hydroxyimino)cyclohexylidene]hydroxylamine
• CAS No.: 621-22-7
• Molecular Formula: C6H6(NHOH)3
• Molecular Weight: 171.156
• Hs Code.: 2928000090
• NSC Number: 24932
• Nikkaji Number: J134.369F
• Mol file: 621-22-7.mol

Synonyms:621-22-7;N-[3,5-bis(hydroxyimino)cyclohexylidene]hydroxylamine;cyclohexane-1,3,5-trione trioxime;NSC24932;NSC-24932;AKOS006328999

Chemical Property of N-[3,5-bis(hydroxyimino)cyclohexylidene]hydroxylamine

Chemical Property:

• Boiling Point: 491 °C at 760 mmHg
• Flash Point: 326.5 °C
• PSA: 97.77000
• Density: 1.6 g/cm³
• LogP: 0.66090
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 171.06439116
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99%, ^*data from raw suppliers

1,3,5-CYCLOHEXANETRIONE TRIOXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NO)CC(=NO)CC1=NO

Technology Process of N-[3,5-bis(hydroxyimino)cyclohexylidene]hydroxylamine

There total 4 articles about N-[3,5-bis(hydroxyimino)cyclohexylidene]hydroxylamine 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: 94.0%

1,3,5-cyclohexanetrione (30770-49-1) → (1Z)-cyclohexane-1,3,5-trione trioxime (621-22-7)

Guidance literature:

With ammonium hydroxide; hydroxylamine hydrochloride; In water; at 5 ℃; for 5h; Temperature;

Reference yield: 88.0%

3,5-dihydroxyphenol (108-73-6) → (1Z)-cyclohexane-1,3,5-trione trioxime (621-22-7)

Guidance literature:

With hydroxylamine; at 20 ℃; for 1h;

DOI:10.1055/s-2004-815958

Reference yield:

→ (1Z)-cyclohexane-1,3,5-trione trioxime (621-22-7)

Guidance literature:

aus Hydroxylamin-HCl, K2CO3, Wasser, Phloroglucin-hydrat, -5grad;

DOI:10.1016/0022-1902(63)80386-3

upstream raw materials:

1,3,5-cyclohexanetrione

3,5-dihydroxyphenol

Downstream raw materials:

1,3,5-triaminobenzene

1,3,5-trinitrosobenzene

1,3,5-trinitrobenzene

1,3,5-tris(N,O-diacetylhydroxyamino)benzene

Refernces

• 1、 -. "Safe synthesis method of 1,3,5-triamino-2,4,6-trinitrobenzene". Paragraph 0062-0069; 0089-0092; 0101-0103. . Retrieved 2021/06/23.
• 2、 Mironenko,Belskaya,Talzi,Rodionov,Sysolyatin,Likholobov. "An unusual reduction route of 2,4,6-trinitrobenzoic acid under conditions of aqueous-phase hydrogenation over Pd/Sibunit catalyst". . p. 1535 - 1540. Retrieved 2017/03/01.