Cas no 645-13-6 (4'-Isopropylacetophenone)

4'-Isopropylacetophenone is an aromatic ketone with the molecular formula C11H14O, characterized by the presence of an isopropyl group at the para position of the acetophenone structure. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and fragrances. Its key advantages include high purity, consistent reactivity, and stability under standard storage conditions. The isopropyl substitution enhances its steric and electronic properties, making it a versatile building block for more complex molecular frameworks. Suitable for use in Grignard reactions, Friedel-Crafts acylations, and other functional group transformations, it offers reliable performance in synthetic applications.
4'-Isopropylacetophenone structure
4'-Isopropylacetophenone structure
Product Name:4'-Isopropylacetophenone
CAS No:645-13-6
MF:C11H14O
MW:162.228263378143
MDL:MFCD00048297
CID:39402
PubChem ID:12578
Update Time:2025-10-21

4'-Isopropylacetophenone Chemical and Physical Properties

Names and Identifiers

    • 4'-Isopropylacetophenone
    • 1-[4-(1-Methylethyl)phenyl]ethan-1-one
    • 1-(4-propan-2-ylphenyl)ethanone
    • 1-[4-(1-methylethyl)phenyl]Ethanone
    • 4-Isopropylacetophenone
    • p-Isopropylacetophenone
    • Cuminone
    • 1-(4-Isopropylphenyl)ethanone
    • Ethanone, 1-[4-(1-methylethyl)phenyl]-
    • Acetophenone, 4'-isopropyl-
    • Methyl p-isopropylphenyl ketone
    • 1-[4-(propan-2-yl)phenyl]ethan-1-one
    • p-iso-propylacetophenone
    • 1-(4-(1-Methylethyl)phenyl)ethanone
    • (4-Isopropylphenyl)ethanone
    • (4-iso-propylphenyl)ethanone
    • 742ZKZ2A6D
    • PDLCCNYKIIUWHA-UHFFFAOYSA-N
    • Acetophenone, 4'-isopropy
    • 1-(4-Isopropylphenyl)ethanone (4-Isopropylacetophenone)
    • MDL: MFCD00048297
    • Inchi: 1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3
    • InChI Key: PDLCCNYKIIUWHA-UHFFFAOYSA-N
    • SMILES: CC(C1C=CC(C(=O)C)=CC=1)C
    • BRN: 2205694

Computed Properties

  • Exact Mass: 162.10400
  • Monoisotopic Mass: 162.104465
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 7
  • XLogP3: 3
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Liquid
  • Density: 0.970(lit.)
  • Melting Point: 254 C
  • Boiling Point: 238°C
  • Flash Point: 238°C
  • Refractive Index: 1.522-1.524
  • Water Partition Coefficient: Soluble in alcohol. Insoluble in water.
  • PSA: 17.07000
  • LogP: 3.01260
  • Solubility: Not determined
  • FEMA: 3186

4'-Isopropylacetophenone Security Information

  • Hazard Statement: Flammable/Irritant
  • Hazardous Material transportation number:1224
  • Hazard Category Code: 10-36/37/38-52-43-22
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xi F
  • Safety Term:S24/25
  • PackingGroup:III
  • TSCA:Yes
  • Risk Phrases:R10
  • Packing Group:III

4'-Isopropylacetophenone Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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4'-Isopropylacetophenone Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
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(CAS:645-13-6)對異丙基苯乙酮
Order Number:LE1597846;LE17365
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:28
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
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(CAS:645-13-6)4'-Isopropylacetophenone
Order Number:sfd636;1597846
Stock Status:in Stock
Quantity:200KG/Company Customization
Purity:99%/98%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally
Jiangsu Xinsu New Materials Co., Ltd
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(CAS:645-13-6)
Order Number:SFD1488
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:02
Price ($):
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:645-13-6)4'-Isopropylacetophenone
Order Number:A834794
Stock Status:in Stock
Quantity:500g/1kg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:31
Price ($):423.0/719.0

4'-Isopropylacetophenone Related Literature

Additional information on 4'-Isopropylacetophenone

Recent Advances in the Study of 4'-Isopropylacetophenone (CAS: 645-13-6)

4'-Isopropylacetophenone (CAS: 645-13-6) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. Recent studies have explored its potential applications in drug development, particularly as an intermediate in the synthesis of bioactive molecules. This research brief aims to summarize the latest findings related to this compound, focusing on its chemical properties, biological activities, and potential therapeutic uses.

A recent study published in the Journal of Medicinal Chemistry investigated the role of 4'-Isopropylacetophenone as a precursor in the synthesis of novel anti-inflammatory agents. The researchers utilized a multi-step synthetic pathway to derivatize the compound, resulting in a series of analogs with enhanced bioactivity. The study highlighted the compound's versatility and its potential to serve as a scaffold for the development of new therapeutic agents.

Another significant advancement was reported in a 2023 paper in Bioorganic & Medicinal Chemistry Letters, which examined the antimicrobial properties of 4'-Isopropylacetophenone derivatives. The study demonstrated that certain derivatives exhibited potent activity against a range of Gram-positive and Gram-negative bacteria, suggesting their potential as leads for new antibiotics. The researchers also conducted molecular docking studies to elucidate the mechanism of action, revealing interactions with key bacterial enzymes.

In addition to its pharmacological applications, 4'-Isopropylacetophenone has also been studied for its role in organic synthesis. A recent publication in Organic Letters detailed a novel catalytic method for the asymmetric synthesis of chiral derivatives of this compound. The method employed a palladium-based catalyst and achieved high enantioselectivity, paving the way for the production of enantiomerically pure compounds for further biological evaluation.

Despite these promising findings, challenges remain in the optimization of 4'-Isopropylacetophenone-based compounds for clinical use. Issues such as bioavailability, metabolic stability, and toxicity need to be addressed in future studies. However, the compound's structural simplicity and ease of modification make it an attractive candidate for further exploration.

In conclusion, recent research on 4'-Isopropylacetophenone (CAS: 645-13-6) has underscored its potential as a valuable building block in drug discovery and organic synthesis. Continued investigation into its derivatives and their biological activities is likely to yield new insights and therapeutic opportunities in the coming years.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:645-13-6)對異丙基苯乙酮
LE1597846;LE17365
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:645-13-6)4'-Isopropylacetophenone
sfd636;1597846
Purity:99%/98%
Quantity:200KG/Company Customization
Price ($):Inquiry/Inquiry
Email