Butanoic acid, 4-formylphenyl ester

Base Information

• Chemical Name: Butanoic acid, 4-formylphenyl ester
• CAS No.: 50262-49-2
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• DSSTox Substance ID: DTXSID5068528
• Nikkaji Number: J422.518J
• Wikidata: Q81995275
• Mol file: 50262-49-2.mol

Synonyms:p-Butyryloxybenzaldehyde;50262-49-2;(4-formylphenyl) butanoate;Butanoic acid, 4-formylphenyl ester;4-Formylphenyl butyrate;p-Formylphenyl Butyrate;4-formylphenyl butanoate;4-Formylphenyl butyrate #;SCHEMBL1665645;DTXSID5068528;Butanoic acid 4-formylphenyl ester;MFCD00021058;AKOS006242758;FT-0639892;A828036

Chemical Property of Butanoic acid, 4-formylphenyl ester

Chemical Property:

• Vapor Pressure: 0.000873mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 304.5 °C at 760 mmHg
• Flash Point: 132.8 °C
• PSA: 43.37000
• Density: 1.119 g/cm³
• LogP: 2.20460
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

p-Butyryloxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butanoic acid, 4-formylphenyl ester

There total 2 articles about Butanoic 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: 100.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + butyryl chloride (141-75-3) → 4-ethylacetoxy benzaldehyde (50262-49-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2011.09.019

Reference yield:

→ 4-ethylacetoxy benzaldehyde (50262-49-2)

Guidance literature:

4-Hydroxybenzaldehyd, n-Butyrylchlorid in Ggw. v. Pyridin <0-20grad>;

Reference yield: 70.0%

4-ethylacetoxy benzaldehyde (50262-49-2) → 4-(hydroxymethyl)phenyl butyrate

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2011.09.019

upstream raw materials:

4-hydroxy-benzaldehyde

butyryl chloride

Downstream raw materials:

di(4-butanoyloxybenzyl) methoxycarbonylmethylphosphonate

4-((((3-nitropyridin-4-yl)carbamoyl)oxy)methyl)phenyl butyrate

4-((((3-aminopyridin-4-yl)carbamoyl)oxy)methyl)phenyl butyrate

Refernces