Cas no 844885-03-6 ((4-chlorophenyl)(3,5-dimethylphenyl)methanone)
(4-chlorophenyl)(3,5-dimethylphenyl)methanone Chemical and Physical Properties
Names and Identifiers
-
- (4-chlorophenyl)(3,5-dimethylphenyl)methanone
- (4-chlorophenyl)-(3,5-dimethylphenyl)methanone
- 4-Chloro-3',5'-diMethylbenzophenone
- 3',5'-dimethyl-4-chloro benzophenone
- AKOS009339246
- 844885-03-6
- (4-Chloro-phenyl)-(3,5-dimethyl-phenyl)-methanone
- JHIJMSIQLCIZRQ-UHFFFAOYSA-N
- SCHEMBL13492123
- DTXSID10373914
- MFCD06201508
-
- MDL: MFCD06201508
- Inchi: 1S/C15H13ClO/c1-10-7-11(2)9-13(8-10)15(17)12-3-5-14(16)6-4-12/h3-9H,1-2H3
- InChI Key: JHIJMSIQLCIZRQ-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)C(C1C=C(C)C=C(C)C=1)=O
Computed Properties
- Exact Mass: 244.06500
- Monoisotopic Mass: 244.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 258
- 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: 4.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 4.18780
(4-chlorophenyl)(3,5-dimethylphenyl)methanone Customs Data
- HS CODE:2914700090
- Customs Data:
China Customs Code:
2914700090Overview:
2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
(4-chlorophenyl)(3,5-dimethylphenyl)methanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 022743-1g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 97% | 1g |
£273.00 | 2022-03-01 | |
| Fluorochem | 022743-5g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 97% | 5g |
£909.00 | 2022-03-01 | |
| Fluorochem | 022743-25g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 97% | 25g |
£2144.00 | 2022-03-01 | |
| A2B Chem LLC | AC27578-1g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 97% | 1g |
$423.00 | 2024-04-19 | |
| A2B Chem LLC | AC27578-2g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 97% | 2g |
$737.00 | 2024-04-19 | |
| A2B Chem LLC | AC27578-5g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 97% | 5g |
$1288.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1650621-1g |
(4-Chlorophenyl)(3,5-dimethylphenyl)methanone |
844885-03-6 | 98% | 1g |
¥4222.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1650621-2g |
(4-Chlorophenyl)(3,5-dimethylphenyl)methanone |
844885-03-6 | 98% | 2g |
¥8925.00 | 2024-07-28 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1650621-5g |
(4-Chlorophenyl)(3,5-dimethylphenyl)methanone |
844885-03-6 | 98% | 5g |
¥16012.00 | 2024-07-28 | |
| Crysdot LLC | CD12025940-1g |
4-Chloro-3',5'-dimethylbenzophenone |
844885-03-6 | 95+% | 1g |
$316 | 2024-07-24 |
(4-chlorophenyl)(3,5-dimethylphenyl)methanone Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
Additional information on (4-chlorophenyl)(3,5-dimethylphenyl)methanone
Professional Introduction to (4-chlorophenyl)(3,5-dimethylphenyl)methanone (CAS No. 844885-03-6)
(4-chlorophenyl)(3,5-dimethylphenyl)methanone, with the CAS number 844885-03-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and chemical biology. This compound, characterized by its unique aromatic structure, exhibits potential applications in the development of novel therapeutic agents and biochemical research tools. The presence of both chloro and dimethyl substituents on the phenyl rings imparts distinct electronic and steric properties, making it a valuable scaffold for synthetic modifications and drug discovery efforts.
The molecular structure of (4-chlorophenyl)(3,5-dimethylphenyl)methanone consists of an acetyl group connected to two phenyl rings. The chloro-substituted phenyl ring at the 4-position enhances electrophilic aromatic substitution reactions, while the dimethyl groups at the 3 and 5 positions contribute to steric hindrance and tunable electronic effects. These features make the compound a versatile intermediate in organic synthesis, particularly in the construction of more complex molecules.
In recent years, there has been growing interest in exploring the pharmacological properties of structurally diverse methanone derivatives. Studies have demonstrated that such compounds can interact with various biological targets, including enzymes and receptors, which are implicated in a wide range of diseases. The (4-chlorophenyl)(3,5-dimethylphenyl)methanone scaffold has been investigated for its potential role in modulating pathways associated with inflammation, neurodegeneration, and metabolic disorders.
One of the most compelling aspects of this compound is its utility as a building block in medicinal chemistry. Researchers have leveraged its reactivity to develop analogs with enhanced binding affinity and selectivity. For instance, modifications to the substituents on the phenyl rings have led to derivatives that exhibit improved activity against specific enzymatic targets. These findings highlight the importance of (4-chlorophenyl)(3,5-dimethylphenyl)methanone in the design of next-generation pharmaceuticals.
The synthesis of (4-chlorophenyl)(3,5-dimethylphenyl)methanone involves well-established organic reactions, including Friedel-Crafts acylation and cross-coupling techniques. The chloro group on one phenyl ring facilitates acylation with an acetyl chloride derivative, while palladium-catalyzed cross-coupling reactions can be employed to introduce additional substituents. These synthetic strategies ensure high yields and purity, making the compound readily accessible for further functionalization.
Recent advances in computational chemistry have also contributed to a deeper understanding of the properties of (4-chlorophenyl)(3,5-dimethylphenyl)methanone. Molecular modeling studies have revealed insights into its interactions with biological targets, providing a rational basis for structure-activity relationship (SAR) analysis. These computational approaches complement experimental efforts by predicting binding modes and optimizing lead compounds for drug development.
The potential applications of this compound extend beyond pharmaceuticals into agrochemicals and materials science. Its unique structural features make it a candidate for developing novel pesticides or specialty chemicals with tailored properties. Additionally, researchers are exploring its use in organic electronics, where its aromatic structure could contribute to the performance of conductive polymers or organic semiconductors.
In conclusion, (4-chlorophenyl)(3,5-dimethylphenyl)methanone (CAS No. 844885-03-6) represents a promising compound with diverse applications in chemical biology and drug discovery. Its structural versatility and reactivity make it an invaluable tool for synthetic chemists and medicinal chemists alike. As research continues to uncover new therapeutic targets and synthetic methodologies, this compound is poised to play a significant role in advancing scientific knowledge and innovation.
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