3-Methyl-1-phenylpent-4-en-1-one

Base Information

• Chemical Name: 3-Methyl-1-phenylpent-4-en-1-one
• CAS No.: 3240-30-0
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• DSSTox Substance ID: DTXSID901303179
• Nikkaji Number: J2.721.631E
• Mol file: 3240-30-0.mol

Synonyms:3-methyl-1-phenylpent-4-en-1-one;3240-30-0;SCHEMBL19346894;XESHNLSKAWPODO-UHFFFAOYSA-;DTXSID901303179;3-methyl-1-phenyl-4-penten-1-one;1-Phenyl-3-methyl-4-pentene-1-one;AKOS011669196;InChI=1/C12H14O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3

Chemical Property of 3-Methyl-1-phenylpent-4-en-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.08150
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-1-phenylpent-4-en-1-one

There total 21 articles about 3-Methyl-1-phenylpent-4-en-1-one 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%

1-styrenyloxytrimethylsilane (13735-81-4) + 1-(trimethylsilyl)but-2-ene (18292-28-9) → 3-methyl-1-phenyl-pent-4-en-1-one (3240-30-0)

Guidance literature:

1-styrenyloxytrimethylsilane; With [hydroxy(tosyloxy)iodo]benzene; boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 0.5h; Inert atmosphere;

1-(trimethylsilyl)but-2-ene; In dichloromethane; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.201610274

Reference yield: 84.0%

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + acetophenone (98-86-2) → 3-methyl-1-phenyl-pent-4-en-1-one (3240-30-0)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; water; [1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene; at 130 ℃; for 2h; Reagent/catalyst; regioselective reaction; Neutral conditions;

DOI:10.1021/acscatal.0c00019

Reference yield: 78.0%

3-Methyl-2-methylsulfanyl-1-phenyl-pent-4-en-1-one (72731-12-5) → 3-methyl-1-phenyl-pent-4-en-1-one (3240-30-0)

Guidance literature:

With sodium thiomethoxide; In methanol; Heating;

DOI:10.1021/ja00526a078

upstream raw materials:

but-2-enylzinc bromide

1-phenylethenylmagnesium bromide

4-phenylsulfonyl-3-methyl-1-phenyl-4-penten-1-one

3-Methyl-2-methylsulfanyl-1-phenyl-pent-4-en-1-one

Downstream raw materials:

2-methyl-4-oxo-4-phenylbutanal

2-methyl-4-oxo-4-phenylbutanoic acid

doremox

4-methyl-2-phenylpyridine