1-(4-Chlorophenyl)-4-methylpent-3-en-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-4-methylpent-3-en-1-one
• CAS No.: 62045-83-4
• Molecular Formula: C12H13ClO
• Molecular Weight: 208.688
• DSSTox Substance ID: DTXSID90494297

Synonyms:1-(4-Chlorophenyl)-4-methylpent-3-en-1-one;62045-83-4;SCHEMBL11433238;DTXSID90494297

Chemical Property of 1-(4-Chlorophenyl)-4-methylpent-3-en-1-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.0654927
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(4-Chlorophenyl)-4-methylpent-3-en-1-one

There total 13 articles about 1-(4-Chlorophenyl)-4-methylpent-3-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: 94.0%

2-(4-chlorophenyl)-2-(3,3-dimethylallyl)-4-phenyl-5(2H)-oxazolone (62045-65-2) → 1-(p-chlorophenyl)-4-methyl-3-penten-1-one (62045-83-4) + phenylglycin (2835-06-5)

Guidance literature:

With hypophosphorous acid; chromium(II) acetate; In N,N-dimethyl-formamide; for 0.75h;

Reference yield: 85.0%

2-(4-Chloro-phenyl)-2-(3-methyl-but-2-enyl)-4-phenyl-2,5-dihydro-oxazol-5-ol → 1-(p-chlorophenyl)-4-methyl-3-penten-1-one (62045-83-4) + phenylglycin (2835-06-5)

Guidance literature:

With phloroglycine-dihydrate; citric acid; In 1,4-dioxane; Heating;

Reference yield: 53.0%

1-(4-Chlorphenyl)-4-methyl-2-(triphenylphosphoranyliden)-3-penten-1-on (88299-57-4) → 1-(p-chlorophenyl)-4-methyl-3-penten-1-one (62045-83-4)

Guidance literature:

With acetic acid; zinc; In chloroform; Heating;

upstream raw materials:

2-(4-chlorophenyl)-2-(3,3-dimethylallyl)-4-phenyl-5(2H)-oxazolone

1-(4-Chlorphenyl)-4-methyl-2-(triphenylphosphoranyliden)-3-penten-1-on

(4-chloro-benzoylamino)-phenyl-acetic acid methyl ester

(4-chloro-benzoylamino)-phenyl-acetic acid 3-methyl-but-2-enyl ester

Downstream raw materials:

C₁₇H₂₃ClO

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