Hexanoic acid, 4-formylphenyl ester

Base Information

• Chemical Name: Hexanoic acid, 4-formylphenyl ester
• CAS No.: 50262-51-6
• Molecular Formula: C13H16O3
• Molecular Weight: 220.2643
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID9068530
• Nikkaji Number: J422.520A
• Wikidata: Q81995278
• Mol file: 50262-51-6.mol

Synonyms:Hexanoic acid, 4-formylphenyl ester;50262-51-6;Hexanoic acid 4-formylphenyl ester;SCHEMBL3172173;DTXSID9068530

Chemical Property of Hexanoic acid, 4-formylphenyl ester

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Boiling Point: 334.3°Cat760mmHg
• Flash Point: 145.9°C
• PSA: 43.37000
• Density: 1.075g/cm³
• LogP: 2.98480
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Hexanoic acid, 4-formylphenyl ester

There total 2 articles about Hexanoic 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: 95.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + Hexanoyl chloride (142-61-0) → 4-formylphenylhexaneoate (50262-51-6)

Guidance literature:

With pyridine; N,N-dimethyl-formamide;

Reference yield:

hexanoic acid (142-62-1) → 4-formylphenylhexaneoate (50262-51-6)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₃

2: 95 percent / pyridine / DMF

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

Reference yield: 65.0%

(E)-4,4'-diaminostilbene (7314-06-9) + 4-formylphenylhexaneoate (50262-51-6) → 4,4'-bis(4-pentylcarbonyloxybenzylideneamino)stilbene (134293-38-2)

Guidance literature:

In toluene; at 109 ℃; for 4h;

upstream raw materials:

4-hydroxy-benzaldehyde

Hexanoyl chloride

hexanoic acid

Downstream raw materials:

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

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

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

Refernces

• 1、 Tschierske, C.,Zaschke, H.. "Liquid-Crystalline Heterocycloalkanes. III. Synthesis and Liquid-Crystalline Properties of Substituted 1,3-Dioxadecalines". . p. 1 - 14. Retrieved 2007/10/02.