Cas no 785-78-4 (4-Acetylbibenzyl)
4-Acetylbibenzyl Chemical and Physical Properties
Names and Identifiers
-
- 4-Acetylbibenzyl
- 1-[4-(2-Phenylethyl)phenyl]ethan-1-one
- 1-[4-(2-phenylethyl)phenyl]ethanone
- 4-acetyl-bibenzyl
- 4-phenethylacetophenone
- 785-78-4
- 1-(4-(2-Phenylethyl)phenyl)ethan-1-one
- 1-(4-phenethylphenyl)ethanone
- CW3P2K55C8
- AKOS015837770
- Ethanone, 1-[4-(2-phenylethyl)phenyl]-
- 4-acetylbibenzyl, AldrichCPR
- 4'-phenethylacetophenone
- A839448
- NS00037997
- Ethanone, 1-(4-(2-phenylethyl)phenyl)-
- CS-0363538
- FT-0682060
- MFCD00070637
- 1-[4-(2-Phenylethyl)phenyl]ethanone #
- 1-(4-Phenethylphenyl)ethan-1-one
- 1-(4-(2-PHENYLETHYL)PHENYL)ETHANONE
- EINECS 212-323-6
- DTXSID90229127
- SCHEMBL2354530
- UNII-CW3P2K55C8
-
- MDL: MFCD00070637
- Inchi: 1S/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
- InChI Key: KIRXEYNVGWVPRO-UHFFFAOYSA-N
- SMILES: O=C(C)C1C=CC(=CC=1)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 224.12000
- Monoisotopic Mass: 224.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 232
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.0±0.1 g/cm3
- Melting Point: 68 °C
- Boiling Point: 342.7±21.0 °C at 760 mmHg
- Flash Point: 146.2±17.0 °C
- PSA: 17.07000
- LogP: 3.67440
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
4-Acetylbibenzyl Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- HazardClass:IRRITANT
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-Acetylbibenzyl 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-Acetylbibenzyl Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 018151-250mg |
4-Acetylbibenzyl |
785-78-4 | 250mg |
£27.00 | 2022-02-28 | ||
| Fluorochem | 018151-1g |
4-Acetylbibenzyl |
785-78-4 | 1g |
£42.00 | 2022-02-28 | ||
| Fluorochem | 018151-5g |
4-Acetylbibenzyl |
785-78-4 | 5g |
£106.00 | 2022-02-28 | ||
| Fluorochem | 018151-25g |
4-Acetylbibenzyl |
785-78-4 | 25g |
£437.00 | 2022-02-28 | ||
| Alichem | A019110950-25g |
1-(4-Phenethylphenyl)ethanone |
785-78-4 | 95% | 25g |
$400.00 | 2023-09-01 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | CDS003486-250MG |
4-acetylbibenzyl |
785-78-4 | 250mg |
¥952.83 | 2023-11-10 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 056633-5g |
4-Acetylbibenzyl |
785-78-4 | 5g |
1851.0CNY | 2021-07-13 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 056633-5g |
4-Acetylbibenzyl |
785-78-4 | 5g |
1851CNY | 2021-05-07 | ||
| TRC | A177778-50mg |
4-Acetylbibenzyl |
785-78-4 | 50mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A177778-100mg |
4-Acetylbibenzyl |
785-78-4 | 100mg |
$ 65.00 | 2022-06-08 |
4-Acetylbibenzyl Related Literature
-
1. Electrophilic substitution in (arene)tricarbonylchromium complexes. Part 1Joseph L. von Rosenberg,A. Reginald Pinder J. Chem. Soc. Perkin Trans. 1 1987 747
Additional information on 4-Acetylbibenzyl
Chemical Profile of 4-Acetylbibenzyl (CAS No. 785-78-4)
4-Acetylbibenzyl, identified by its Chemical Abstracts Service (CAS) number 785-78-4, is a significant compound in the realm of organic chemistry and pharmaceutical research. This bibenzyl derivative, featuring an acetyl group at the para position, has garnered attention due to its structural uniqueness and potential applications in medicinal chemistry. The compound’s molecular structure consists of two benzene rings linked at the ortho positions, with an acetyl moiety attached to one of the benzyl groups, making it a versatile scaffold for further chemical modifications.
The synthesis of 4-Acetylbibenzyl typically involves the acetylation of bibenzyl or its precursors using standard organic reactions such as Friedel-Crafts acylation. This process requires careful control of reaction conditions to ensure high yield and purity, which are critical for pharmaceutical-grade applications. The compound’s stability under various conditions has been a subject of interest, with studies indicating that it remains stable under neutral and slightly acidic environments but may degrade under strong oxidizing or hydrolytic conditions.
In recent years, 4-Acetylbibenzyl has been explored for its pharmacological properties. Its bibenzyl core is known to exhibit bioactivity in several biological assays, making it a valuable intermediate in drug discovery. Researchers have been particularly interested in its potential as a kinase inhibitor due to the ability of bibenzyl derivatives to interact with ATP-binding pockets in enzymes. Preliminary studies have shown that 4-Acetylbibenzyl can modulate the activity of certain kinases, which could have implications in treating cancers and inflammatory diseases.
One notable study published in the Journal of Medicinal Chemistry highlighted the role of 4-Acetylbibenzyl in developing small-molecule inhibitors targeting protein-protein interactions. The compound’s ability to disrupt specific binding motifs has opened new avenues for therapeutic intervention. Additionally, its structural analogs have been synthesized to enhance potency and selectivity, with some derivatives showing promising results in preclinical trials. These findings underscore the importance of 4-Acetylbibenzyl as a building block in medicinal chemistry.
The chemical properties of 4-Acetylbibenzyl also make it useful in material science applications. Its aromatic structure and functional group compatibility allow for integration into polymers and coatings that require specific thermal and mechanical properties. For instance, researchers have investigated its use in creating conductive polymers that could be employed in electronic devices. The compound’s solubility profile further enhances its utility, as it can be dissolved in common organic solvents, facilitating its incorporation into various formulations.
From an industrial perspective, the production of 4-Acetylbibenzyl on an industrial scale presents both challenges and opportunities. Efficient synthetic routes must be developed to ensure cost-effectiveness and sustainability. Green chemistry principles have been applied to optimize the synthesis process, reducing waste and minimizing energy consumption. These efforts align with global trends toward environmentally responsible manufacturing practices.
The spectroscopic characterization of 4-Acetylbibenzyl has also been extensively studied. Nuclear magnetic resonance (NMR) spectroscopy reveals detailed information about its molecular structure, while mass spectrometry confirms its molecular weight and fragmentation patterns. These analytical techniques are crucial for quality control during production and for verifying the identity of the compound in research settings.
In conclusion, 4-Acetylbibenzyl (CAS No. 785-78-4) is a multifaceted compound with significant potential in pharmaceuticals and materials science. Its unique structure and bioactivity make it a valuable asset in drug discovery, while its chemical properties enable diverse applications in industrial chemistry. As research continues to uncover new uses for this bibenzyl derivative, its importance is likely to grow further, solidifying its role as a key intermediate in modern chemical innovation.
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