4-Formylphenyl 4-(decyloxy)benzoate

Base Information

• Chemical Name: 4-Formylphenyl 4-(decyloxy)benzoate
• CAS No.: 56800-35-2
• Molecular Formula: C24H30O4
• Molecular Weight: 382.5
• DSSTox Substance ID: DTXSID50536763
• Wikidata: Q82411521
• Mol file: 56800-35-2.mol

Synonyms:4-Formylphenyl 4-(decyloxy)benzoate;56800-35-2;SCHEMBL302534;DTXSID50536763;WHJLOVBONWNLRI-UHFFFAOYSA-N;4-Decyloxy-benzoic acid 4-formyl-phenyl ester

Chemical Property of 4-Formylphenyl 4-(decyloxy)benzoate

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 382.21440943
• Heavy Atom Count: 28
• Complexity: 420

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=O

Technology Process of 4-Formylphenyl 4-(decyloxy)benzoate

There total 12 articles about 4-Formylphenyl 4-(decyloxy)benzoate 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: 83.0%

p-decyloxybenzoic acid (5519-23-3) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(4'-decyloxybenzoyloxy)benzaldehyde (56800-35-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1039/c4nj02011a

Reference yield:

oxalyl dichloride (79-37-8) + methyl 4-decyloxybenzoate (62443-10-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(4'-decyloxybenzoyloxy)benzaldehyde (56800-35-2)

Guidance literature:

With dmap; KOH; triethylamine; In ethanol; dichloromethane; toluene;

Reference yield:

1-bromo dodecane (112-29-8) → 4-(4'-decyloxybenzoyloxy)benzaldehyde (56800-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / methanol / Heating

2: dimethyl aminopyridine; dicyclohexylcarbodiimide / CH₂Cl₂ / 20 °C

With potassium hydroxide; dicyclohexyl-carbodiimide; In methanol; dichloromethane;

DOI:10.1080/15421400601150379

upstream raw materials:

p-decyloxybenzoic acid

4-hydroxy-benzaldehyde

4-decyloxybenzoyl chloride

1-bromo dodecane

Downstream raw materials:

4-Decyloxy-benzoic acid 4-((R)-cyano-pentanoyloxy-methyl)-phenyl ester

4-Decyloxy-benzoic acid 4-[(R)-cyano-((S)-2-methyl-butyryloxy)-methyl]-phenyl ester

4-Decyloxy-benzoic acid 4-[(S)-cyano-((S)-2-methyl-butyryloxy)-methyl]-phenyl ester

4-Decyloxy-benzoic acid 4-[(R)-((S)-2-butoxy-propionyloxy)-cyano-methyl]-phenyl ester