4-Butylphenyl 4-(nonyloxy)benzoate

Base Information

• Chemical Name: 4-Butylphenyl 4-(nonyloxy)benzoate
• CAS No.: 70280-78-3
• Molecular Formula: C₂₆H₃₆O₃
• Molecular Weight: 396.57
• DSSTox Substance ID: DTXSID00508031
• Wikidata: Q82364712
• Mol file: 70280-78-3.mol

Synonyms:4-BUTYLPHENYL 4-(NONYLOXY)BENZOATE;70280-78-3;DTXSID00508031

Chemical Property of 4-Butylphenyl 4-(nonyloxy)benzoate

Chemical Property:

• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 396.26644501
• Heavy Atom Count: 29
• Complexity: 406

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCC

Technology Process of 4-Butylphenyl 4-(nonyloxy)benzoate

There total 4 articles about 4-Butylphenyl 4-(nonyloxy)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:

1-Bromononane (693-58-3) → 4-Nonyloxy-benzoic acid 4-butyl-phenyl ester (70280-78-3)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / Heating

2: thionyl chloride / 2 h / Heating

3: pyridine / Ambient temperature

With thionyl chloride; In pyridine; ethanol;

DOI:10.1016/S0040-4020(01)92351-8

Reference yield:

4-nonyloxybenzoic acid (15872-43-2) → 4-Nonyloxy-benzoic acid 4-butyl-phenyl ester (70280-78-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / Heating

2: pyridine / Ambient temperature

With thionyl chloride; In pyridine;

DOI:10.1016/S0040-4020(01)92351-8

Reference yield:

sel de potassium de l'acide p-hydroxybenzoique (16782-08-4) → 4-Nonyloxy-benzoic acid 4-butyl-phenyl ester (70280-78-3)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / Heating

2: thionyl chloride / 2 h / Heating

3: pyridine / Ambient temperature

With thionyl chloride; In pyridine; ethanol;

DOI:10.1016/S0040-4020(01)92351-8

upstream raw materials:

4-n-butylphenol

4-(nonyloxy)benzoyl chloride

1-Bromononane

4-nonyloxybenzoic acid