1-PHENYL-2-BUTANONE

Base Information

• Chemical Name: 1-PHENYL-2-BUTANONE
• CAS No.: 1007-32-5
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 29143990
• European Community (EC) Number: 213-752-1
• NSC Number: 133447
• UNII: 1AKG6904VP
• DSSTox Substance ID: DTXSID60143462
• Nikkaji Number: J1.757D
• Wikidata: Q27252157
• Mol file: 1007-32-5.mol

Synonyms:1-Phenyl-2-butanone;Benzyl ethyl ketone;Ethyl benzyl ketone;NSC 133447;1-Phenylbutan-2-one;Benzyl ethyl ketone; Ethyl benzyl ketone;

Chemical Property of 1-PHENYL-2-BUTANONE

Chemical Property:

• Vapor Pressure: 0.075mmHg at 25°C
• Melting Point: 72-73 °C
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 228.1 °C at 760 mmHg
• Flash Point: 90.6 °C
• PSA: 17.07000
• Density: 0.972 g/cm³
• LogP: 2.20820
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

98% ^*data from raw suppliers

1-Phenyl-2-butanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)CC1=CC=CC=C1
• Uses: 1-Phenyl-2-butanone is a building block that has been shown to have sedative activities in mice. 1-Phenyl-2-butanone was used in the preparation of 1-bromo-1-phenyl-2-butanone. It was used as solute to evaluate the hydroxyl group-solvent and carbonyl group-solvent specific interactions in acetonitrile/water mixtures using the alltima C18 stationary phase by HPLC.

Technology Process of 1-PHENYL-2-BUTANONE

There total 138 articles about 1-PHENYL-2-BUTANONE 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: 92.4%

benzyl bromide (100-39-0) + Ethyl propionate (105-37-3,20741-13-3) → benzyl ethyl ketone (1007-32-5)

Guidance literature:

benzyl bromide; With magnesium; lithium chloride; In tetrahydrofuran; at 63 - 67 ℃;

Ethyl propionate; In tetrahydrofuran; at 30 - 40 ℃; for 1.5h; Time;

Reference yield: 92.0%

diphenyl acetylene (501-65-5) + 3-methyl-N-allyl-2-aminopyridine (256379-30-3) → benzyl ethyl ketone (1007-32-5)

Guidance literature:

diphenyl acetylene; 3-methyl-N-allyl-2-aminopyridine; With Wilkinson's catalyst; cyclohexylamine; benzoic acid; In toluene; at 130 ℃; for 12h;

With water; hydrogen cation; Further stages.;

DOI:10.1021/ja011053z

Reference yield: 90.2%

ethyl 2-methyl-3-oxo-4-phenylbutanoate (2867-62-1) → benzyl ethyl ketone (1007-32-5)

Guidance literature:

With sulfuric acid; at 100 - 110 ℃;

upstream raw materials:

formic acid

4,4-dimethyl-1-phenyl-pent-1-yn-3-ol

ethyl ester of the 2-ethyl-3-phenyl-2,3-epoxypropionic acid

2-Nitro-1-phenyl-1-butene

Downstream raw materials:

2-(methylamino)-1-phenylbutane

1-phenyl-2,4-pentanedione

1,5-diphenyl-2,4-pentanedione

3-phenyl-2,4-hexanedione

Refernces

• 1、 Saadati, Fariba,Yousefi, Kobra. "Development of a metal-free oxidation of alcohols with dimethyl sulfoxide (DMSO) activated by tosyl chloride". . p. 2818 - 2825. Retrieved 2014.
• 2、 Kumar, Gangam Srikanth,Singh, Diksha,Kumar, Manish,Kapur, Manmohan. "Palladium-catalyzed aerobic oxidative coupling of allylic alcohols with anilines in the synthesis of nitrogen heterocycles". . p. 3941 - 3951. Retrieved 2018.
• 3、 Huang, Xian,Sheng, Shou-Ri. "Reactions of aldehydes with polymer-supported selenoalkylidenetriphenylphosphoranes. A facile method for the synthesis of carbonyl compounds". . p. 9035 - 9037. Retrieved 2001.
• 4、 Inoue, Mami,Kamiguchi, Shinsuke,Ugawa, Katto,Hkiri, Shaima,Bouffard, Jules,Sémeril, David,Iwasawa, Tetsuo. "Evaluation of the Catalytic Capability of cis- and trans-Diquinoxaline Spanned Cavitands". . p. 6261 - 6268. Retrieved 2019.
• 5、 Hamdan, Samir M.,Musa, Musa M.,Nafiu, Sodiq A.,Takahashi, Etsuko,Takahashi, Masateru. "Deracemization and Stereoinversion of Alcohols Using Two Mutants of Secondary Alcohol Dehydrogenase from Thermoanaerobacter pseudoethanolicus". . . Retrieved 2020.
• 6、 Manoharan, Ramasamy,Jeganmohan, Masilamani. "Synthesis of isoindolinones via a ruthenium-catalyzed cyclization of N-substituted benzamides with allylic alcohols". . p. 2929 - 2932. Retrieved 2015.
• 7、 Inoue, Mami,Ugawa, Katto,Maruyama, Tomoyuki,Iwasawa, Tetsuo. "Selective Catalytic Hydration of Alkynes in the Presence of Au-Cavitands: A Study in Structure–Activity Relationships". . p. 5304 - 5311. Retrieved 2018.
• 8、 Nun, Pierrick,Ramón, Rubén S.,Gaillard, Sylvain,Nolan, Steven P.. "Efficient silver-free gold(I)-catalyzed hydration of alkynes at low catalyst loading". . p. 7 - 11. Retrieved 2011.
• 9、 Aldea, Raluca,Alper, Howard. "Ruthenium clay catalyzed chemoselective hydrogenation of unsaturated esters, epoxides, sulfones and phosphonates". . p. 349 - 354. Retrieved 1998.
• 10、 Bays. "". . p. 38. Retrieved 1978.