3,4-Didodecoxybenzaldehyde

Base Information

• Chemical Name: 3,4-Didodecoxybenzaldehyde
• CAS No.: 117241-25-5
• Molecular Formula: C31H54O3
• Molecular Weight: 474.768
• Hs Code.: 29124900
• DSSTox Substance ID: DTXSID30369293
• Nikkaji Number: J1.744.829C
• Wikidata: Q82156342
• Mol file: 117241-25-5.mol

Synonyms:117241-25-5;3,4-didodecoxybenzaldehyde;3,4-bis(dodecyloxy)benzaldehyde;3',4'-(Didodecyloxy)benzaldehyde;3,4-Bis(Dodecyloxy)-Benzaldehyde;Benzaldehyde, 3,4-bis(dodecyloxy)-;Benzaldehyde,3,4-bis(dodecyloxy)-;SILVERLACTATEMONOHYDRATE;SCHEMBL2941799;3,4-Di(dodecyloxy)benzaldehyde;3,4-bis-dodecyloxy-benzaldehyde;DTXSID30369293;DCCUOJMQKCHYDO-UHFFFAOYSA-N;MFCD00216914;AKOS015911967;3,4-Bis[(dodec-1-yl)oxy]benzaldehyde;CS-0339072;FT-0642864;A803742

Chemical Property of 3,4-Didodecoxybenzaldehyde

Chemical Property:

• Appearance/Colour: beige flakes
• Melting Point: 70-73 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 568.8 °C at 760 mmHg
• Flash Point: 290.6 °C
• PSA: 35.53000
• Density: 0.926 g/cm³
• LogP: 10.09850
• XLogP3: 12.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 25
• Exact Mass: 474.40729558
• Heavy Atom Count: 34
• Complexity: 425

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=C(C=C(C=C1)C=O)OCCCCCCCCCCCC

Technology Process of 3,4-Didodecoxybenzaldehyde

There total 5 articles about 3,4-Didodecoxybenzaldehyde 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: 98.0%

1-dodecylbromide (143-15-7) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-bis(dodecyloxy)benzaldehyde (117241-25-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 4h; Inert atmosphere;

Reference yield: 90.0%

1-bromo dodecane (112-29-8) + 3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-bis(dodecyloxy)benzaldehyde (117241-25-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ja210991f

Reference yield: 71.0%

toluene-4-sulfonic acid 3,4-bis-dodecyloxy-benzyl ester → 3,4-bis(dodecyloxy)benzaldehyde (117241-25-5)

Guidance literature:

Multistep reaction;

DOI:10.1021/ol049120s

upstream raw materials:

1-dodecylbromide

3,4-dihydroxybenzaldehyde

C₁₉H₃₀O₃

1-bromo dodecane

Downstream raw materials:

(E)-3-(3,4-Bis-dodecyloxy-phenyl)-acrylic acid

(E)-3,4-bis(dodecyloxy)-N-phenylbenzaldimin

(E)-3-<3,4-bis(dodecyloxy)phenyl>-prop-2-ensaeure

4,5-didodecyloxy-2-nitrobenzaldehyde