3,4-Didecoxybenzaldehyde

Base Information

• Chemical Name: 3,4-Didecoxybenzaldehyde
• CAS No.: 118468-34-1
• Molecular Formula: C27H46O3
• Molecular Weight: 418.66
• Hs Code.: 29124900
• DSSTox Substance ID: DTXSID70369292
• Nikkaji Number: J3.139.507K
• Wikidata: Q82156339
• Mol file: 118468-34-1.mol

Synonyms:3,4-didecoxybenzaldehyde;118468-34-1;3',4'-(Didecyloxy)benzaldehyde;3,4-bis(decyloxy)benzaldehyde;3,4-didecyloxybenzaldehyde;SCHEMBL2948173;DTXSID70369292;MKLNWOUQGKEWBQ-UHFFFAOYSA-N;MFCD00143005;AKOS015911968;FT-0642894;A803938

Chemical Property of 3,4-Didecoxybenzaldehyde

Chemical Property:

• Appearance/Colour: light yellow to beige flakes
• Melting Point: 61-66 °C
• Refractive Index: 1.5460 (estimate)
• Boiling Point: 522.4 °C at 760 mmHg
• Flash Point: 262.3 °C
• PSA: 35.53000
• Density: 0.938 g/cm³
• LogP: 8.53810
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 21
• Exact Mass: 418.34469533
• Heavy Atom Count: 30
• Complexity: 371

Purity/Quality:

98%min ^*data from raw suppliers

3',4'-(DIDECYLOXY)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: CCCCCCCCCCOC1=C(C=C(C=C1)C=O)OCCCCCCCCCC

Technology Process of 3,4-Didecoxybenzaldehyde

There total 4 articles about 3,4-Didecoxybenzaldehyde 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: 100.0%

1-bromo dodecane (112-29-8) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-didecyloxybenzaldehyde (118468-34-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1139/V10-056

Reference yield: 53.0%

1-bromo dodecane (112-29-8) + potassium carbonate (584-08-7) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-didecyloxybenzaldehyde (118468-34-1)

Guidance literature:

In acetone;

Reference yield: 34.0%

Iododecane (2050-77-3) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-didecyloxybenzaldehyde (118468-34-1)

Guidance literature:

With potassium hydroxide; In ethanol; for 24h; Heating;

DOI:10.1016/j.bmc.2003.08.012

upstream raw materials:

1-bromo dodecane

3,4-dihydroxybenzaldehyde

Iododecane

potassium carbonate

Downstream raw materials:

4,5-bis-decyloxy-2-nitro-benzaldehyde

2-amino-4,5-bis-decyloxy-benzaldehyde

3,4-didecyloxybenzyl alcohol

4-(2,2-dibromovinyl)-1,2-bis(decyloxy)benzene

Refernces

• 1、 Parker, Rachel R.,Liu, Denghui,Yu, Xiankang,Whitwood, Adrian C.,Zhu, Weiguo,Williams,Wang, Yafei,Lynam, Jason M.,Bruce, Duncan W.. "Synthesis, mesomorphism, photophysics and device performance of liquid-crystalline pincer complexes of gold(iii)". supporting information. p. 1287 - 1302. Retrieved 2021/02/12.
• 2、 Blanco, Hugo,Iguarbe, Verónica,Barberá, Joaquín,Serrano, José Luis,Elduque, Anabel,Giménez, Raquel. "Supramolecular Columnar Liquid Crystals with Tapered-Shape Simple Pyrazoles Obtained by Efficient Henry/Michael Reactions". supporting information. p. 4924 - 4930. Retrieved 2016/04/05.