4-[(4-Pentylbenzoyl)oxy]benzoic acid

Base Information

• Chemical Name: 4-[(4-Pentylbenzoyl)oxy]benzoic acid
• CAS No.: 135446-54-7
• Molecular Formula: C₁₉H₂₀O₄
• Molecular Weight: 312.365
• DSSTox Substance ID: DTXSID50564869
• Wikidata: Q82449723
• Mol file: 135446-54-7.mol

Synonyms:135446-54-7;4-[(4-Pentylbenzoyl)oxy]benzoic acid;SCHEMBL6704732;DTXSID50564869

Chemical Property of 4-[(4-Pentylbenzoyl)oxy]benzoic acid

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 377

Purity/Quality:

98%min ^*data from raw suppliers

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)O

Technology Process of 4-[(4-Pentylbenzoyl)oxy]benzoic acid

There total 3 articles about 4-[(4-Pentylbenzoyl)oxy]benzoic acid 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:

Benzyl 4-hydroxybenzoate (94-18-8) → 4-(4-pentylbenzoyloxy)-benzoic acid (135446-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / Reflux

2: palladium 10% on activated carbon; hydrogen / tetrahydrofuran / Heating

With pyridine; palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; dichloromethane;

DOI:10.1080/15421400902817361

Reference yield:

4-pentylbenzoic acid (26311-45-5) + 4-hydroxy-benzoic acid (99-96-7) → 4-(4-pentylbenzoyloxy)-benzoic acid (135446-54-7)

Guidance literature:

With pyridine; thionyl chloride; Yield given. Multistep reaction; 1) benzene, reflux, 10 h, 2) rt, 24 h;

Reference yield:

4-pentylbenzoic acid (26311-45-5) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(4-pentylbenzoyloxy)-benzoic acid (135446-54-7)

Guidance literature:

4-pentylbenzoic acid; 4-hydroxy-benzaldehyde;

With sodium chlorite;

DOI:10.1039/b923262a

upstream raw materials:

4-pentylbenzoic acid

4-hydroxy-benzoic acid

4-hydroxy-benzaldehyde

Benzyl 4-hydroxybenzoate

Downstream raw materials:

C₅₀H₆₂N₂O₁₀

C₄₅H₄₁NO₈

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