2-Ethylbutyrophenone

Base Information

• Chemical Name: 2-Ethylbutyrophenone
• CAS No.: 5682-46-2
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• European Community (EC) Number: 227-143-3
• DSSTox Substance ID: DTXSID7063976
• Nikkaji Number: J225.090J
• Wikidata: Q81991141
• Mol file: 5682-46-2.mol

Synonyms:2-Ethylbutyrophenone;5682-46-2;1-Butanone, 2-ethyl-1-phenyl-;EINECS 227-143-3;2-ethyl-1-phenylbutan-1-one;alpha-Ethylbutyrophenone;SCHEMBL1629814;DTXSID7063976;AKOS009338707

Chemical Property of 2-Ethylbutyrophenone

Chemical Property:

• Vapor Pressure: 0.0185mmHg at 25°C
• Boiling Point: 253.2°Cat760mmHg
• Flash Point: 99.4°C
• PSA: 17.07000
• Density: 0.94g/cm³
• LogP: 3.30550
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)C1=CC=CC=C1

Technology Process of 2-Ethylbutyrophenone

There total 28 articles about 2-Ethylbutyrophenone 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: 75.0%

ethyl 2-ethyl-2-cyanobutyrate (1619-56-3) + phenylboronic acid (98-80-6) → 2-Ethylbutyrophenon (5682-46-2)

Guidance literature:

With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine; In 1,2-dimethoxyethane; at 60 ℃; for 12h;

DOI:10.1039/c5nj01597a

Reference yield:

ethyl 2-benzoyl-2-ethylbutanoate (116773-05-8) → 2-Ethylbutanoic acid (88-09-5) + carbon dioxide (124-38-9,18923-20-1) + 2-Ethylbutyrophenon (5682-46-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Reference yield:

acetophenone (98-86-2) + methyl iodide (74-88-4) → 2-Ethylbutyrophenon (5682-46-2) + propiophenone (495-40-9)

Guidance literature:

With potassium hydroxide; Aliquat 336; for 20h; Ambient temperature;

DOI:10.1016/S0040-4020(97)00089-6

upstream raw materials:

2-ethyl-1-phenylbutanol

ethyl-(2-ethyl-1-phenyl-but-1-enyl)-ether

ethyl 2-benzoyl-2-ethylbutanoate

ethyl iodide

Downstream raw materials:

2-ethyl-2-methyl-1-phenyl-butan-1-one

(+/-)-4-phenylhexan-3-one

2-ethyl-1-phenyl-butan-1-one oxime

2,2-diethyl-1-phenyl-butan-1-one

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