Benzoic acid, 4-butyl-, 4-methoxyphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-butyl-, 4-methoxyphenyl ester
• CAS No.: 35684-23-2
• Molecular Formula: C₁₈H₂₀O₃
• Molecular Weight: 284.355
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID9067936
• Nikkaji Number: J151.219F
• Wikidata: Q81994618
• Mol file: 35684-23-2.mol

Synonyms:Benzoic acid, 4-butyl-, 4-methoxyphenyl ester;35684-23-2;4'-Methoxyphenyl 4-butylbenzoate;4-Butylbenzoic acid, 4-methoxyphenyl ester;DTXSID9067936;SCHEMBL11821586;4-Methoxyphenyl 4-butylbenzoate #;p-Butylbenzoic acid p-methoxyphenyl ester;4-Butyl-benzoic acid 4-methoxy-phenyl ester

Chemical Property of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester

Chemical Property:

• Vapor Pressure: 3.66E-07mmHg at 25°C
• Boiling Point: 417°Cat760mmHg
• Flash Point: 177.2°C
• PSA: 35.53000
• Density: 1.082g/cm³
• LogP: 4.25700
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 284.14124450
• Heavy Atom Count: 21
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC

Technology Process of Benzoic acid, 4-butyl-, 4-methoxyphenyl ester

There total 5 articles about Benzoic acid, 4-butyl-, 4-methoxyphenyl 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-butylbenzoyl chloride (28788-62-7) + 4-methoxy-phenol (150-76-5) → 4-Methoxyphenyl-4'-n-butylbenzoat (35684-23-2)

Guidance literature:

With pyridine;

DOI:10.1021/ja00759a011

Reference yield:

4-butylbenzonitrile (20651-73-4) → 4-Methoxyphenyl-4'-n-butylbenzoat (35684-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / Heating

With sodium hydroxide;

Reference yield:

p-bromobutylbenzene (41492-05-1) → 4-Methoxyphenyl-4'-n-butylbenzoat (35684-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 1900390/

upstream raw materials:

4-butylbenzoyl chloride

4-methoxy-phenol

4-butyl benzoic acid

p-bromobutylbenzene

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