1,9-Bis(4-(hexyloxy)phenyl)-1,9-nonanedione dioxime

Base Information

• Chemical Name: 1,9-Bis(4-(hexyloxy)phenyl)-1,9-nonanedione dioxime
• CAS No.: 104192-29-2
• Molecular Formula: C₃₃H₅₀N₂O₄
• Molecular Weight: 538.771
• Mol file: 104192-29-2.mol

Synonyms:BRN 5667692;1,9-Bis(4-(hexyloxy)phenyl)-1,9-nonanedione dioxime;1,9-Nonanedione, 1,9-bis(4-(hexyloxy)phenyl)-, dioxime;104192-29-2;C33H50N2O4;C33-H50-N2-O4;LS-96852

Chemical Property of 1,9-Bis(4-(hexyloxy)phenyl)-1,9-nonanedione dioxime

Chemical Property:

• XLogP3: 10.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 22
• Exact Mass: 538.37705808
• Heavy Atom Count: 39
• Complexity: 584

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=NO)CCCCCCCC(=NO)C2=CC=C(C=C2)OCCCCCC
• Isomeric SMILES: CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC

Technology Process of 1,9-Bis(4-(hexyloxy)phenyl)-1,9-nonanedione dioxime

There total 3 articles about 1,9-Bis(4-(hexyloxy)phenyl)-1,9-nonanedione 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: 62.1%

1,9-Bis-(4-hexyloxy-phenyl)-nonane-1,9-dione (104192-35-0) → 1,9-Bis-(4-hexyloxy-phenyl)-nonane-1,9-dione dioxime (104192-29-2)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; for 12h; Heating;

DOI:10.1007/BF00758328

Reference yield:

azelaoyl chloride (123-98-8) → 1,9-Bis-(4-hexyloxy-phenyl)-nonane-1,9-dione dioxime (104192-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 64.4 percent / AlCl₃ / petroleum ether / 3 h

2: 62.1 percent / hydroxylamine hydrochloride, pyridine / ethanol / 12 h / Heating

With pyridine; aluminium trichloride; hydroxylamine hydrochloride; In ethanol; Petroleum ether;

DOI:10.1007/BF00758328

Reference yield:

1-phenoxyhexane (1132-66-7) → 1,9-Bis-(4-hexyloxy-phenyl)-nonane-1,9-dione dioxime (104192-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 64.4 percent / AlCl₃ / petroleum ether / 3 h

2: 62.1 percent / hydroxylamine hydrochloride, pyridine / ethanol / 12 h / Heating

With pyridine; aluminium trichloride; hydroxylamine hydrochloride; In ethanol; Petroleum ether;

DOI:10.1007/BF00758328

upstream raw materials:

1,9-Bis-(4-hexyloxy-phenyl)-nonane-1,9-dione

azelaoyl chloride

1-phenoxyhexane