3,4-Bis(octyloxy)benzaldehyde

Base Information

• Chemical Name: 3,4-Bis(octyloxy)benzaldehyde
• CAS No.: 131525-50-3
• Molecular Formula: C23H38O3
• Molecular Weight: 362.553
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID50369290
• Nikkaji Number: J2.288.559F
• Wikidata: Q82156337
• Mol file: 131525-50-3.mol

Synonyms:3,4-dioctoxybenzaldehyde;131525-50-3;3,4-bis(octyloxy)benzaldehyde;3',4'-(Dioctyloxy)benzaldehyde;Benzaldehyde,3,4-bis(octyloxy)-;SCHEMBL2945520;DTXSID50369290;MFCD00143011;STL335304;AKOS015912395;FT-0643152;A806273

Chemical Property of 3,4-Bis(octyloxy)benzaldehyde

Chemical Property:

• Appearance/Colour: beige flakes
• Melting Point: 54-56 °C
• Refractive Index: 1.5480 (estimate)
• Boiling Point: 473.3 °C at 760 mmHg
• Flash Point: 232.1 °C
• PSA: 35.53000
• Density: 0.953g/cm³
• LogP: 6.97770
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 362.28209507
• Heavy Atom Count: 26
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

3',4'-(DIOCTYLOXY)BENZALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=C(C=C(C=C1)C=O)OCCCCCCCC

Technology Process of 3,4-Bis(octyloxy)benzaldehyde

There total 3 articles about 3,4-Bis(octyloxy)benzaldehyde 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-Iodooctane (629-27-6) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-bis(octyloxy)benzaldehyde (131525-50-3)

Guidance literature:

With potassium carbonate; In butanone; for 18h; Heating;

DOI:10.1016/j.bmc.2003.08.012

Reference yield: 90.0%

1-bromo-octane (111-83-1) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-bis(octyloxy)benzaldehyde (131525-50-3)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1039/c8nj02252f

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-bis(octyloxy)benzaldehyde (131525-50-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

upstream raw materials:

1-bromo-octane

3,4-dihydroxybenzaldehyde

1-Iodooctane

Downstream raw materials:

4,5-dioctyloxy-2-nitrobenzaldehyde

(E)-3-(3,4-dioctyloxyphenyl)-2-(ethoxymethyl)-2-propenenitrile

2,7-dibromo-9,10-di[4-(3,4-bisoctyloxystyryl)-phenyl]-phenanthrene

C₃₀H₄₃NO₄