Ethyl 4-n-propylbenzoylformate

Base Information

• Chemical Name: Ethyl 4-n-propylbenzoylformate
• CAS No.: 845790-55-8
• Molecular Formula: C13H16O3
• Molecular Weight: 220.26
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID501297700
• Mol file: 845790-55-8.mol

Synonyms:Ethyl 4-n-propylbenzoylformate;845790-55-8;ethyl 2-oxo-2-(4-propylphenyl)acetate;DTXSID501297700;MFCD06201709;AKOS010879611;Ethyl alpha-oxo-4-propylbenzeneacetate;ethyl 4-N-propylbenzoylformate, AldrichCPR

Chemical Property of Ethyl 4-n-propylbenzoylformate

Chemical Property:

• Vapor Pressure: 0.000315mmHg at 25°C
• Boiling Point: 320.6°C at 760 mmHg
• Flash Point: 141.1°C
• PSA: 43.37000
• Density: 1.065g/cm³
• LogP: 2.38490
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98% ^*data from raw suppliers

Ethyl4-n-propylbenzoylformate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)C(=O)OCC

Technology Process of Ethyl 4-n-propylbenzoylformate

There total 2 articles about Ethyl 4-n-propylbenzoylformate 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: 71.0%

ethanol (64-17-5) + 4-n-Propylphenyl-1-bromoacetylene (284044-51-5) → ethyl 2-oxo-2-(4-propylphenyl)acetate (845790-55-8)

Guidance literature:

With oxygen; for 12h; chemoselective reaction; Irradiation;

DOI:10.1039/c9cc04090k

Reference yield:

phenylpropane (103-65-1) + Ethyl oxalyl chloride (4755-77-5) → ethyl 2-oxo-2-(4-propylphenyl)acetate (845790-55-8)

Guidance literature:

With aluminium trichloride;

Reference yield: 25.0%

3-amino-2-((4-thioxo-1,4-dihydropyridin-3-yl)sulfonyl)guanidine (1454274-57-7) + ethyl 2-oxo-2-(4-propylphenyl)acetate (845790-55-8) → 3-hydroxy-2-(4-propylphenyl)pyrido[4,3-e][1,2,4]triazino[3,2-c][1,2,4]thiadiazine 6,6-dioxide

Guidance literature:

With acetic acid; Reflux;

DOI:10.3390/molecules21010041

upstream raw materials:

phenylpropane

Ethyl oxalyl chloride

ethanol

4-n-Propylphenyl-1-bromoacetylene

Downstream raw materials:

2-(4-propylphenyl)acetic acid

4-propyl-mandelic acid