Octanoic acid, 4-formylphenyl ester

Base Information

• Chemical Name: Octanoic acid, 4-formylphenyl ester
• CAS No.: 50433-83-5
• Molecular Formula: C15H20 O3
• Molecular Weight: 248.322
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID7068550
• Nikkaji Number: J422.536H
• Wikidata: Q81995302
• Mol file: 50433-83-5.mol

Synonyms:50433-83-5;(4-formylphenyl) Octanoate;Octanoic acid, 4-formylphenyl ester;4-formylphenyl octanoate;(4-formylphenyl)octanoate;4-formylphenyloctanoate;p-octanoyloxybenzaldehyde;SCHEMBL1665845;DTXSID7068550;CRNAPIOANHRWDJ-UHFFFAOYSA-N;Octanoic acid 4-formylphenyl ester

Chemical Property of Octanoic acid, 4-formylphenyl ester

Chemical Property:

• Vapor Pressure: 1.79E-05mmHg at 25°C
• Boiling Point: 363.6°C at 760 mmHg
• Flash Point: 158.4°C
• PSA: 43.37000
• Density: 1.044g/cm³
• LogP: 3.76500
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

95% ^*data from raw suppliers

4-Formylphenyloctanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)C=O

Technology Process of Octanoic acid, 4-formylphenyl ester

There total 4 articles about Octanoic acid, 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: 90.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + n-octanoic acid chloride (111-64-8) → 4-formylphenyloctanoate (50433-83-5)

Guidance literature:

With pyridine; N,N-dimethyl-formamide;

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + n-octanoic acid chloride (111-64-8) → 3'-bromo-4'-(2-methylbutyloxy)-4-biphenylyl-4-octanoyloxybenzoate + 4-formylphenyloctanoate (50433-83-5)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In pyridine; toluene;

Reference yield:

Octanoic acid (124-07-2) → 4-formylphenyloctanoate (50433-83-5)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₃

2: 90 percent / pyridine / DMF

With pyridine; phosphorus trichloride; N,N-dimethyl-formamide;

upstream raw materials:

4-hydroxy-benzaldehyde

n-octanoic acid chloride

Octanoic acid

Downstream raw materials:

4-octanoyloxybenzoic acid

4,4'-bis(4-heptylcarbonyloxybenzylideneamino)stilbene

4,4'-bis(4-heptylcarbonyloxybenzylideneamino)azobenzene

Refernces

• 1、 Kossmehl, Gerhard,Bahr, Juergen. "Liquid Crystalline Azomethines and Polyazomethines Containing Azobenzene and Stilben Units". . p. 245 - 254. Retrieved 2007/10/02.
• 2、 -. "Liquid-crystalline substituted biphenyl esters". . . Retrieved 2008/06/13.