4-(3-Oxobutyl)phenyl acetate

Base Information

• Chemical Name: 4-(3-Oxobutyl)phenyl acetate
• CAS No.: 3572-06-3
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Hs Code.: 29147000
• European Community (EC) Number: 222-682-0,248-136-1
• NSC Number: 39438
• UNII: 040RZ09S0V
• DSSTox Substance ID: DTXSID2035481
• Nikkaji Number: J3.054F
• Wikidata: Q15632725
• Metabolomics Workbench ID: 46123
• ChEMBL ID: CHEMBL3187562
• Mol file: 3572-06-3.mol

Synonyms:4-(p-acetoxyphenyl)-2-butanone;Cue-Lure

Chemical Property of 4-(3-Oxobutyl)phenyl acetate

Chemical Property:

• Appearance/Colour: Yellow liquid, sweet raspberry fruity odour
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 352.6 °C at 760 mmHg
• Flash Point: 134.1 °C
• PSA: 43.37000
• Density: 1.085 g/cm³
• LogP: 2.13350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

4-(3-Oxobutyl)phenyl acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)OC(=O)C
• Description: A yellow liquid with sweet, raspberry, fruity odor.
• Uses: 4-(3-Oxobutyl)phenyl Acetate is a sexual attractant. Pheromone. 4-(3-Oxobutyl)phenyl acetate was used as attractant for detection programs aimed at melon fly and other cuelure-responding Bactrocera fruit flies. As attractant in melon fly traps.

Technology Process of 4-(3-Oxobutyl)phenyl acetate

There total 3 articles about 4-(3-Oxobutyl)phenyl acetate 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: 80.0%

acetic anhydride (108-24-7) + 4-(4-hydroxyphenyl)-2-oxobutane (5471-51-2) → 4-(p-hydroxyphenyl)-2-butanone acetate (3572-06-3)

Guidance literature:

With pyridine; at 0 - 20 ℃;

DOI:10.1080/00397910802542036

Reference yield: 69.0%

→ 4-(p-hydroxyphenyl)-2-butanone acetate (3572-06-3)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; In acetonitrile; at 20 ℃; Irradiation;

Reference yield:

acetyl chloride (75-36-5) + 4-(4-hydroxyphenyl)-2-oxobutane (5471-51-2) → 4-(p-hydroxyphenyl)-2-butanone acetate (3572-06-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2015.01.024

upstream raw materials:

acetic anhydride

4-(4-hydroxyphenyl)-2-oxobutane

acetyl chloride

Downstream raw materials:

(2S,4S,5R,6R)-5-Acetylamino-4-hydroxy-2-[1-hydroxy-3-(4-hydroxy-phenyl)-1-methyl-propyl]-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid

(R)-(+)-4-(4'-hydroxyphenyl)-2-butyl acetate

Refernces

• 1、 -. "Preparation method for synthesis of phenolic ester through thiocarboxylic acid mediated visible light catalyzed phenol acylation reaction". Paragraph 0079; 0080; 0100; 0101; 0102. . Retrieved 2018/07/30.
• 2、 Burmaoglu, Serdar,Celik, Huelya,Goeiksu, Sueleyman,Maras, Ahmet,Altundas, Ramazan,Secen, Hasan. "Synthesis of two alnustone-like natural diarylheptanoids via 4+3 strategy". experimental part. p. 1549 - 1562. Retrieved 2009/11/30.