Cas no 645-13-6 (4'-Isopropylacetophenone)
4'-Isopropylacetophenone Chemical and Physical Properties
Names and Identifiers
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- 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)
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- 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:
- 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:
2914399090Overview:
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%
4'-Isopropylacetophenone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 022395-1g |
4'-iso-Propylacetophenone |
645-13-6 | 97% | 1g |
£10.00 | 2022-02-28 | |
| Fluorochem | 022395-5ml |
4'-iso-Propylacetophenone |
645-13-6 | 97% | 5ml |
£23.00 | 2022-02-28 | |
| Fluorochem | 022395-25ml |
4'-iso-Propylacetophenone |
645-13-6 | 97% | 25ml |
£98.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I121833-25g |
4'-Isopropylacetophenone |
645-13-6 | 98% | 25g |
¥140.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I121833-5g |
4'-Isopropylacetophenone |
645-13-6 | 98% | 5g |
¥35.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I121833-100g |
4'-Isopropylacetophenone |
645-13-6 | 98% | 100g |
¥448.90 | 2023-09-02 | |
| Alichem | A019122336-100g |
1-(4-Isopropylphenyl)ethanone |
645-13-6 | 95% | 100g |
$306.94 | 2023-09-01 | |
| Chemenu | CM191745-100g |
4'-Isopropylacetophenone |
645-13-6 | 95% | 100g |
$279 | 2021-06-16 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018330-100g |
4'-Isopropylacetophenone |
645-13-6 | 98% | 100g |
¥360 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R018330-25g |
4'-Isopropylacetophenone |
645-13-6 | 98% | 25g |
¥104 | 2024-05-22 |
4'-Isopropylacetophenone Suppliers
4'-Isopropylacetophenone Related Literature
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Thanh Binh Nguyen,Pascal Retailleau Chem. Commun. 2022 58 13333
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2. 960. The interaction of alkylbenzenes with excess of Friedel–Crafts acetylating agentG. Baddeley,E. Wrench J. Chem. Soc. 1956 4943
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3. Reduction of alkyl alkyl, aryl alkyl and cyclic ketones by catalytic hydrogen transfer over magnesium oxideJacek Kijeński,Marek Gliński,Jacek Czarnecki J. Chem. Soc. Perkin Trans. 2 1991 1695
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4. Hydrogen-bond basicity pK HB scale of aldehydes and ketonesFran?ois Besseau,Maryvonne Lu?on,Christian Laurence,Michel Berthelot HB scale of aldehydes and ketones. Fran?ois Besseau Maryvonne Lu?on Christian Laurence Michel Berthelot J. Chem. Soc. Perkin Trans. 2 1998 101
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5. 684. Formation of 1,1-dinitroethyl aromatic compoundsJ. E. McIntyre J. Chem. Soc. 1964 3540
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.
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