1-[4-(Propan-2-yl)phenyl]propan-2-one

Base Information

• Chemical Name: 1-[4-(Propan-2-yl)phenyl]propan-2-one
• CAS No.: 7306-39-0
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• DSSTox Substance ID: DTXSID00523163
• Wikidata: Q82389090
• Mol file: 7306-39-0.mol

Synonyms:4'-Isopropylphenylacetone;7306-39-0;1-[4-(propan-2-yl)phenyl]propan-2-one;1-(4-ISOPROPYLPHENYL)PROPAN-2-ONE;1-(4-propan-2-ylphenyl)propan-2-one;SCHEMBL2309410;DTXSID00523163;APWPLZAFFOTPRO-UHFFFAOYSA-N;MFCD01317589;1-(4-isopropyl-phenyl)-propan-2-one;AKOS011913911;CS-0273837;EN300-1857504

Chemical Property of 1-[4-(Propan-2-yl)phenyl]propan-2-one

Chemical Property:

• Boiling Point: 113-115 °C
• PSA: 17.07000
• Density: 0.947±0.06 g/cm3(Predicted)
• LogP: 2.94150
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

1-[4-(propan-2-yl)phenyl]propan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Propan-2-yl)phenyl]propan-2-one

There total 12 articles about 1-[4-(Propan-2-yl)phenyl]propan-2-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: 91.0%

3-(4-isopropyl)-phenyl-2-methyl-1-(4-morpholino)-1-propene → 4-morpholinecarboxaldehyde (4394-85-8) + 1-(4-isopropylphenyl)propan-2-one (7306-39-0)

Guidance literature:

With aluminum oxide; potassium permanganate; neutral; In acetone; for 4h; Ambient temperature;

DOI:10.1016/S0040-4039(96)02504-X

Reference yield: 74.0%

4-iodocumene (17356-09-1) + acetylacetone (123-54-6,81235-32-7) → 1-(4-isopropylphenyl)propan-2-one (7306-39-0)

Guidance literature:

With copper(l) iodide; potassium phosphate tribasic trihydrate; In dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ja1033777

Reference yield: 72.0%

7-(trimethylstannyl)-p-cymene (105631-51-4) + acetyl chloride (75-36-5) → 1-(4-isopropylphenyl)propan-2-one (7306-39-0)

Guidance literature:

With Wilkinson's catalyst; In dichloromethane; at 60 ℃; for 48h;

DOI:10.1021/jo00238a013

upstream raw materials:

2,3-epoxy-3-(4-isopropyl-phenyl)-2-methyl-propionic acid ethyl ester

2-acetyl-(4-isopropylphenyl)acetonitrile

2-ethoxy-1-(4-isopropyl-phenyl)-propan-1-ol

4-methylisopropylbenzene

Downstream raw materials:

1-bromo-1-[4-(1-methylethyl)phenyl]-2-propanone

cyclamenaldehyde

1-ethoxy-3-(4-isopropyl-phenyl)-2-methyl-propan-2-ol

4-(4-isopropylphenyl)-3-methyl-3-butenoic acid