1-(4-Isopropylphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Isopropylphenyl)propan-1-one
• CAS No.: 27465-52-7
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID70396225
• Nikkaji Number: J3.667.413J
• Wikidata: Q82196830
• Mol file: 27465-52-7.mol

Synonyms:1-(4-isopropylphenyl)propan-1-one;27465-52-7;1-(4-propan-2-ylphenyl)propan-1-one;4'-isopropylpropiophenone;1-[4-(propan-2-yl)phenyl]propan-1-one;MFCD01095865;4-isopropylpropiophenone;1-(4-Isopropyl-phenyl)-propan-1-one;4-i-Propylpropiophenon;p-isopropyl-propiophenone;SCHEMBL3404341;DTXSID70396225;HUQTUHKXMAKTEH-UHFFFAOYSA-N;BBL014146;STK397558;AKOS000265108;VS-04202;CS-0186257;EN300-91491;J3.667.413J;D97558;A923884

Chemical Property of 1-(4-Isopropylphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00614mmHg at 25°C
• Melting Point: 146-149 °C
• Refractive Index: 1.499
• Boiling Point: 272.3°C at 760 mmHg
• Flash Point: 110.4°C
• PSA: 17.07000
• Density: 0.939g/cm³
• LogP: 3.40270
• XLogP3: 3.5
• 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:

97% ^*data from raw suppliers

1-(4-Isopropylphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)C(C)C
• Uses: 1-(4-Isopropylphenyl)propan-1-one is a building block used in the preparation of 2-arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.

Technology Process of 1-(4-Isopropylphenyl)propan-1-one

There total 3 articles about 1-(4-Isopropylphenyl)propan-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: 87.0%

→ 1-(4-isopropylphenyl)propan-1-one (27465-52-7)

Guidance literature:

Reference yield: 71.0%

1-(4-isopropylphenyl)prop-2-en-1-ol → 1-(4-isopropylphenyl)propan-1-one (27465-52-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201700440

Reference yield:

Isopropylbenzene (98-82-8) + propionyl chloride (79-03-8) → 1-(4-isopropylphenyl)propan-1-one (27465-52-7)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01126a515

upstream raw materials:

Isopropylbenzene

propionyl chloride

Downstream raw materials:

1-isopropyl-4-propyl-benzene

1-(4-Isopropyl-phenyl)-propan-1-one oxime

2-bromo-1-(4-isopropyl-phenyl)-propan-1-one

1-(4-isopropylphenyl)propan-1-ol