4-Hexadecyloxybenzaldehyde

Base Information

• Chemical Name: 4-Hexadecyloxybenzaldehyde
• CAS No.: 59117-18-9
• Molecular Formula: C23H38O2
• Molecular Weight: 346.554
• DSSTox Substance ID: DTXSID10392049
• Nikkaji Number: J396.519H
• Mol file: 59117-18-9.mol

Synonyms:4-Hexadecyloxybenzaldehyde;4-hexadecoxybenzaldehyde;59117-18-9;4-(hexadecyloxy)benzaldehyde;p-(cetyloxy)benzaldehyde;SCHEMBL1958537;DTXSID10392049;VOJUFZIYRURGFZ-UHFFFAOYSA-N;STK095658;AKOS001584307;A832166

Chemical Property of 4-Hexadecyloxybenzaldehyde

Chemical Property:

• Melting Point: 44 °C(Solv: methanol (67-56-1))
• Boiling Point: 461.6±18.0 °C(Predicted)
• PSA: 26.30000
• Density: 0.929±0.06 g/cm3(Predicted)
• LogP: 7.35920
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 346.287180451
• Heavy Atom Count: 25
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O

Technology Process of 4-Hexadecyloxybenzaldehyde

There total 10 articles about 4-Hexadecyloxybenzaldehyde 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: 96.2%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + hexadecanyl bromide (112-82-3) → p-n-hexadecyloxybenzaldehyde (59117-18-9)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 70 ℃; for 14h;

DOI:10.1021/ja061450f

Reference yield: 95.1%

1-iodohexadecane (544-77-4) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → p-n-hexadecyloxybenzaldehyde (59117-18-9)

Guidance literature:

With caesium carbonate; 1) Cs₂CO₃, MeOH 2) DMF;

DOI:10.1021/jo00191a009

Reference yield:

N,N'-Bis-[1-(4-hexadecyloxy-phenyl)-meth-(E)-ylidene]-ethane-1,2-diamine (121511-50-0) → p-n-hexadecyloxybenzaldehyde (59117-18-9) + ethylenediamine (107-15-3,85404-18-8)

Guidance literature:

With hydrogenchloride; water; cetyltrimethylammonim bromide; In chloroform; at 25 ℃; Rate constant;

upstream raw materials:

1-iodohexadecane

4-hydroxy-benzaldehyde

hexadecanyl bromide

N,N'-Bis-[1-(4-hexadecyloxy-phenyl)-meth-(E)-ylidene]-ethane-1,2-diamine

Downstream raw materials:

2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5,15-bis(pyridin-4-yl)porphyrin

4-hexadecyloxycinnamic acid

(E)-1-<4-(n-Hexadecyloxy)phenyl>-2-(N-methyl-4-pyridinio)ethene iodide

1,2-bis(4-hexadecyloxybenzylidene)hydrazine

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