3-Buten-1-one, 2-methyl-1-phenyl-

Base Information

• Chemical Name: 3-Buten-1-one, 2-methyl-1-phenyl-
• CAS No.: 50599-02-5
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• DSSTox Substance ID: DTXSID70438477
• Nikkaji Number: J888.137E
• Mol file: 50599-02-5.mol

Synonyms:50599-02-5;3-Buten-1-one, 2-methyl-1-phenyl-;(2-Methyl-3-butenoyl)benzene;SCHEMBL9093296;DTXSID70438477

Chemical Property of 3-Buten-1-one, 2-methyl-1-phenyl-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Buten-1-one, 2-methyl-1-phenyl-

There total 34 articles about 3-Buten-1-one, 2-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: 88.0%

2-methyl-1-phenyl-3-butene-1-ol (25201-44-9) → 2-methyl-1-phenyl-3-buten-1-one (50599-02-5)

Guidance literature:

With sodium hydrogencarbonate; Dess-Martin periodane; In dichloromethane; for 1h;

DOI:10.1021/ol103088r

Reference yield: 88.0%

benzoylpyrazole (10199-66-3) + (E)-1-Bromo-2-butene (4784-77-4,39616-19-8,29576-14-5) → 2-methyl-1-phenyl-3-buten-1-one (50599-02-5)

Guidance literature:

With indium; In water; at 0 ℃;

DOI:10.1016/S0040-4039(97)01512-8

Reference yield: 82.0%

benzoyl cyanide (613-90-1) + (E)-1-Bromo-2-butene (4784-77-4,39616-19-8,29576-14-5) → 2-methyl-1-phenyl-3-buten-1-one (50599-02-5)

Guidance literature:

With ytterbium; In tetrahydrofuran; at 20 ℃; for 7h;

DOI:10.1039/b302491c

upstream raw materials:

2-methyl-1-phenyl-3-butene-1-ol

2-phenyl-2-(trimethylsiloxy)-4-hexenal

1-benzoylimidazole

(E)-crotylmagnesium chloride

Downstream raw materials:

(E)-2-methyl-1-phenyl-2-buten-1-one

2-methyl-1-phenyl-3-butene-1-ol

(E)-2-methyl-1-phenylbut-3-en-1-one oxime

2-phenyl-3-methylpyridine