1,3-Propanedione, 1,3-bis[4-(hexyloxy)phenyl]-

Base Information

• Chemical Name: 1,3-Propanedione, 1,3-bis[4-(hexyloxy)phenyl]-
• CAS No.: 104192-38-3
• Molecular Formula: C27H36O4
• Molecular Weight: 424.58
• DSSTox Substance ID: DTXSID70477689
• Nikkaji Number: J1.269.807K
• Wikidata: Q82310532
• Mol file: 104192-38-3.mol

Synonyms:104192-38-3;1,3-Propanedione, 1,3-bis[4-(hexyloxy)phenyl]-;DTXSID70477689

Chemical Property of 1,3-Propanedione, 1,3-bis[4-(hexyloxy)phenyl]-

Chemical Property:

• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 424.26135963
• Heavy Atom Count: 31
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OCCCCCC

Technology Process of 1,3-Propanedione, 1,3-bis[4-(hexyloxy)phenyl]-

There total 7 articles about 1,3-Propanedione, 1,3-bis[4-(hexyloxy)phenyl]- 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: 93.0%

4-hexyloxyacetophenone (5736-95-8) + 4-hexyloxy-benzoic acid ethyl ester (154845-72-4) → 1,3-Di-(p-n-hexyloxyphenyl)propane-1,3-dione (104192-38-3)

Guidance literature:

With sodium hydride;

Reference yield: 22.0%

4-hexyloxyacetophenone (5736-95-8) + methyl 4-hexyloxybenzoate (50822-54-3) → 1,3-Di-(p-n-hexyloxyphenyl)propane-1,3-dione (104192-38-3)

Guidance literature:

With sodium hydride; In 1,2-dimethoxyethane; for 24h; Heating;

DOI:10.1021/ja042549u

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 1,3-Di-(p-n-hexyloxyphenyl)propane-1,3-dione (104192-38-3)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; KI / acetone / 72 h / Heating

2: 22 percent / NaH / 1,2-dimethoxy-ethane / 24 h / Heating

With sodium hydride; potassium carbonate; potassium iodide; In 1,2-dimethoxyethane; acetone;

DOI:10.1021/ja042549u

upstream raw materials:

4-hexyloxyacetophenone

4-hexyloxy-benzoic acid ethyl ester

methyl 4-hexyloxybenzoate

methyl 4-hydroxylbenzoate

Downstream raw materials:

3,5-Di-(p-n-hexyloxyphenyl)pyrazole