1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl-

Base Information

Chemical Name:1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl-
CAS No.:104426-40-6
Molecular Formula:C₁₃H₁₆O₃
Molecular Weight:220.268
Hs Code.:
DSSTox Substance ID:DTXSID40472343
Nikkaji Number:J523.118C
Mol file:104426-40-6.mol

Synonyms:1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl-;104426-40-6;DTXSID40472343

Suppliers and Price of 1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:220.109944368
Heavy Atom Count:16
Complexity:252

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C(=O)C1=CC=CC=C1)OC(=O)C

Technology Process of 1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl-

There total 9 articles about 1-Butanone, 2-(acetyloxy)-3-methyl-1-phenyl- 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:

: 1612-03-9
3-methyl-1-phenyl-but-1-yne

: 104426-40-6
3-methyl-1-oxo-1-phenylbutan-2-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere; Schlenk technique

2: water / dichloromethane / 12 h / 40 °C / Inert atmosphere; Schlenk technique

With water; In dichloromethane;
DOI:10.1016/j.tetlet.2020.151707

Reference yield:

: 100-39-0
benzyl bromide

: 104426-40-6
3-methyl-1-oxo-1-phenylbutan-2-yl acetate

Guidance literature:: Multi-step reaction with 7 steps

1: NaH / diethyl ether; ethanol / 2 h / Heating

2: pyridine

3: 28 percent / LDA / tetrahydrofuran / 1.) 30 min, -78 deg C, 2.) 30 min, 0 deg C

4: Br₂ / tetrahydrofuran; CHCl₃ / 0.75 h / -78 °C

5: NaBH₄ / ethanol; tetrahydrofuran; CHCl₃ / -78 °C

6: HgCl₂, CaCO₃ / acetonitrile; H₂O / 48 h / Ambient temperature

7: pyridine

With pyridine; sodium tetrahydroborate; bromine; sodium hydride; calcium carbonate; mercury dichloride; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; ethanol; chloroform; water; acetonitrile;

Reference yield:

: 82187-14-2
3-Methyl-1-(2-methylamino-phenylsulfanyl)-1-phenyl-butan-2-one

: 104426-40-6
3-methyl-1-oxo-1-phenylbutan-2-yl acetate

Guidance literature:: Multi-step reaction with 4 steps

1: Br₂ / tetrahydrofuran; CHCl₃ / 0.75 h / -78 °C

2: NaBH₄ / ethanol; tetrahydrofuran; CHCl₃ / -78 °C

3: HgCl₂, CaCO₃ / acetonitrile; H₂O / 48 h / Ambient temperature

4: pyridine

With pyridine; sodium tetrahydroborate; bromine; calcium carbonate; mercury dichloride; In tetrahydrofuran; ethanol; chloroform; water; acetonitrile;