Cas no 29179-13-3 (6-phenylhexa-3,5-dien-2-one)
6-phenylhexa-3,5-dien-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Hexadien-2-one,6-phenyl-, (3E,5E)-
- (3E,5Z)-6-phenylhexa-3,5-dien-2-one
- (1-Cinnamoyl-5-methoxy-2-methyl-3-indolyl)-essigsaeure
- [5-methoxy-2-methyl-1-(3-phenyl-acryloyl)-indol-3-yl]-acetic acid
- 1-(1-Oxo-3-phenyl-2-propenyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid
- 1-cinnamoyl-5-methoxy-2-methyl-1-indole-3-acetic acid
- 1-Cinnamoyl-5-methoxy-2-methyl-indol-
- 5-Methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)-1H-indole-3-acetic acid
- Cindomet
- cinmetacine
- cinmethacin
- cinnamalacetone
- Indolacin
- 6-phenylhexa-3,5-dien-2-one
- 4173-44-8
- (3E,5E)-6-phenylhexa-3,5-dien-2-one
- SCHEMBL10911551
- Cinnamylidenaceton
- (3E,5E)-6-Phenyl-hexa-3,5-dien-2-one
- CS-0274602
- EINECS 224-036-3
- SCHEMBL141554
- CHEBI:173791
- 29179-13-3
- 3,5-Hexadien-2-one, 6-phenyl-
- (3E,5E)-6-phenyl-3,5-hexadien-2-one
- 6-phenyl-hexa-3,5-dien-2-one
- 6-phenyl-3,5-hexadien-2-one
- PRNUCJKOERXADE-YLNKAEQOSA-N
- AKOS009159315
- CHEMBL104778
- Cinnamylideneacetone
- EN300-1861463
-
- Inchi: 1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6+
- InChI Key: PRNUCJKOERXADE-YLNKAEQOSA-N
- SMILES: O=C(C)/C=C/C=C/C1C=CC=CC=1
Computed Properties
- Exact Mass: 172.08886
- Monoisotopic Mass: 172.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Density: 1.009
- Boiling Point: 317.1°C at 760 mmHg
- Flash Point: 117.8°C
- Refractive Index: 1.571
- PSA: 17.07
- LogP: 2.84500
6-phenylhexa-3,5-dien-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1861463-1g |
6-phenylhexa-3,5-dien-2-one |
29179-13-3 | 1g |
$485.0 | 2023-09-18 | ||
| Enamine | EN300-1861463-5g |
6-phenylhexa-3,5-dien-2-one |
29179-13-3 | 5g |
$1406.0 | 2023-09-18 | ||
| Enamine | EN300-1861463-10g |
6-phenylhexa-3,5-dien-2-one |
29179-13-3 | 10g |
$2085.0 | 2023-09-18 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1345272-50mg |
6-Phenylhexa-3,5-dien-2-one |
29179-13-3 | 98% | 50mg |
¥20779 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1345272-100mg |
6-Phenylhexa-3,5-dien-2-one |
29179-13-3 | 98% | 100mg |
¥20088 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1345272-250mg |
6-Phenylhexa-3,5-dien-2-one |
29179-13-3 | 98% | 250mg |
¥20995 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1345272-500mg |
6-Phenylhexa-3,5-dien-2-one |
29179-13-3 | 98% | 500mg |
¥23727 | 2023-04-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1345272-1g |
6-Phenylhexa-3,5-dien-2-one |
29179-13-3 | 98% | 1g |
¥26630 | 2023-04-14 | |
| Enamine | EN300-1861463-0.05g |
6-phenylhexa-3,5-dien-2-one |
29179-13-3 | 0.05g |
$407.0 | 2023-09-18 | ||
| Enamine | EN300-1861463-0.1g |
6-phenylhexa-3,5-dien-2-one |
29179-13-3 | 0.1g |
$427.0 | 2023-09-18 |
6-phenylhexa-3,5-dien-2-one Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
Additional information on 6-phenylhexa-3,5-dien-2-one
Introduction to 6-phenylhexa-3,5-dien-2-one (CAS No. 29179-13-3)
6-phenylhexa-3,5-dien-2-one, identified by the Chemical Abstracts Service registry number CAS No. 29179-13-3, is a significant organic compound that has garnered attention in the field of synthetic chemistry and pharmaceutical research. This molecule, featuring a conjugated system with a phenyl group and a diene backbone, exhibits unique structural and electronic properties that make it a valuable scaffold for developing novel bioactive molecules.
The compound’s structure consists of a hexadienone core substituted with a phenyl ring at the sixth carbon position. This arrangement confers distinct reactivity patterns, making it a versatile intermediate in organic synthesis. The presence of the carbonyl group at the second carbon and the conjugated double bonds at positions 3 and 5 contribute to its ability to participate in various chemical reactions, including Diels-Alder cycloadditions, Michael additions, and oxidation processes.
In recent years, 6-phenylhexa-3,5-dien-2-one has been explored as a building block in medicinal chemistry due to its potential to serve as a precursor for more complex pharmacophores. The phenyl ring introduces hydrophobicity and electronic modulation, while the diene system allows for further functionalization. Such features are particularly attractive for designing molecules with targeted biological activity.
One of the most compelling aspects of 6-phenylhexa-3,5-dien-2-one is its utility in generating derivatives with enhanced biological properties. Researchers have leveraged its scaffold to develop compounds with antimicrobial, anti-inflammatory, and even anticancer potential. For instance, modifications at the phenyl ring or the diene positions can alter the molecule’s interactions with biological targets, leading to improved efficacy or selectivity.
The synthesis of 6-phenylhexa-3,5-dien-2-one typically involves multi-step organic transformations starting from readily available precursors. Common synthetic routes include Friedel-Crafts alkylation followed by dehydrogenation or cross-coupling reactions to introduce the phenyl group. The precision required in these synthetic steps underscores the compound’s importance as a synthetic intermediate.
Recent advancements in computational chemistry have further highlighted the significance of 6-phenylhexa-3,5-dien-2-one. Molecular modeling studies suggest that its structure can be optimized to enhance binding affinity to specific protein targets. These insights have guided experimental efforts toward designing more potent derivatives with therapeutic applications.
The pharmacological profile of compounds derived from 6-phenylhexa-3,5-dien-2-one continues to be an area of active investigation. By systematically modifying its structure, researchers aim to uncover novel mechanisms of action and expand its therapeutic potential. This includes exploring its interactions with enzymes and receptors involved in various disease pathways.
The compound’s role in material science is also noteworthy. Its conjugated system and aromaticity make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and photovoltaic devices. The ability to fine-tune its electronic properties through structural modifications opens up possibilities for developing next-generation materials with improved performance.
In conclusion, 6-phenylhexa-3,5-dien-2-one (CAS No. 29179-13-3) is a multifaceted compound with broad applications across synthetic chemistry, pharmaceutical research, and materials science. Its unique structural features and reactivity patterns make it an invaluable tool for developing innovative solutions in these fields. As research progresses, the full potential of this molecule is expected to be realized through continued exploration and optimization.
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