Benzoic acid, 4-pentyl-, 4-formylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-pentyl-, 4-formylphenyl ester
• CAS No.: 62808-18-8
• Molecular Formula: C₁₉H₂₀O₃
• Molecular Weight: 296.366
• DSSTox Substance ID: DTXSID50411788

Synonyms:Benzoic acid, 4-pentyl-, 4-formylphenyl ester;62808-18-8;DTXSID50411788;AKOS002685628;4-Pentyl-benzoic acid 4-formyl-phenyl ester

Chemical Property of Benzoic acid, 4-pentyl-, 4-formylphenyl ester

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 296.14124450
• Heavy Atom Count: 22
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=O

Technology Process of Benzoic acid, 4-pentyl-, 4-formylphenyl ester

There total 2 articles about Benzoic acid, 4-pentyl-, 4-formylphenyl ester 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:

4-pentylbenzoic acid (26311-45-5) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-Pentyl-benzoic acid 4-formyl-phenyl ester (62808-18-8)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 12h;

DOI:10.1080/15421400802198268

Reference yield:

4-pentylbenzoyl chloride (49763-65-7) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-Pentyl-benzoic acid 4-formyl-phenyl ester (62808-18-8)

Guidance literature:

In pyridine; benzene; Yield given; 12 h, 25 deg C; 1 h, 80 deg C;

Reference yield:

4-Pentyl-benzoic acid 4-formyl-phenyl ester (62808-18-8) + 4-Aminobenzonitrile (873-74-5) → 4-Pentyl-benzoic acid 4-{[(E)-4-cyano-phenylimino]-methyl}-phenyl ester (68349-63-3)

Guidance literature:

at 150 ℃; for 4h; under 40 Torr;

DOI:10.1002/hlca.19820650811

upstream raw materials:

4-pentylbenzoyl chloride

4-hydroxy-benzaldehyde

4-pentylbenzoic acid

Downstream raw materials:

4-Pentyl-benzoic acid (2R,4aR,8aS)-4-(hexahydro-benzo[1,3]dioxin-2-yl)-phenyl ester

4-Pentyl-benzoic acid 4-(5-cyano-5-hexyl-[1,3]dioxan-2-yl)-phenyl ester

4-Pentyl-benzoic acid 4-{5-cyano-5-[2-(4-hexyl-phenyl)-ethyl]-[1,3]dioxan-2-yl}-phenyl ester

4-Pentyl-benzoic acid 4-((2R,4aR,6S,8aS)-6-pentyl-hexahydro-benzo[1,3]dioxin-2-yl)-phenyl ester

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