Cas no 28163-84-0 (3-Heptenoicacid, (3E)-)
3-Heptenoicacid, (3E)- Chemical and Physical Properties
Names and Identifiers
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- 3-Heptenoicacid, (3E)-
- (E)-hept-3-enoic acid
- (3E)-hept-3-enoic acid
- EINECS 248-876-5
- (E)-3-Heptenoic acid
- NS00049955
- 3-HEPTENOICACID
- HY-W127443
- SCHEMBL1564477
- SCHEMBL841088
- 3-HEPTENOIC ACID
- BCYXFRMDZWKZSF-SNAWJCMRSA-N
- DTXSID301314813
- H0427
- C7:1n-4
- J-017684
- 3-Heptenoic acid, AldrichCPR
- beta-heptenoic acid
- AKOS006223740
- CHEBI:179468
- (3E)-3-Heptenoic acid
- (3E)-3-Heptenoic acid #
- 28163-84-0
- CS-0185675
- LMFA01030013
- 29901-85-7
- MFCD00058999
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- MDL: MFCD00058999
- Inchi: 1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
- InChI Key: BCYXFRMDZWKZSF-SNAWJCMRSA-N
- SMILES: OC(C/C=C/CCC)=O
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Heptenoicacid, (3E)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | CDS000348-500MG |
3-Heptenoic acid |
28163-84-0 | 500mg |
¥952.83 | 2023-11-10 |
3-Heptenoicacid, (3E)- Related Literature
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1. Improvement on the synthesis of (E?)-alk-3-enoic acidsNikitas Ragoussis,Valentine Ragoussis J. Chem. Soc. Perkin Trans. 1 1998 3529
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2. Friedel–Crafts reactions of alkenones with benzeneMartin F. Ansell,S. Aleem Mahmud J. Chem. Soc. Perkin Trans. 1 1973 2789
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3. Studies of enzyme-mediated reactions. Part 11. Experiments on the dismutation of aldehyde to alcohol and carboxylic acid by the complex of liver alcohol dehydrogenase and NAD+Alan R. Battersby,Dennis G. Buckley,James Staunton J. Chem. Soc. Perkin Trans. 1 1979 2559
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4. Oxidative cleavage of indane-1,2,3-trione-ene adducts; a convenient synthesis of allyl and allenyl carboxylic acidsG. Bryon Gill,Muhammad S. Hj. Idris,Kirollos S. Kirollos J. Chem. Soc. Perkin Trans. 1 1992 2367
Additional information on 3-Heptenoicacid, (3E)-
Properties and Applications of 3-Heptenoic acid, (3E)- (CAS No. 28163-84-0)
3-Heptenoic acid, (3E)-, with the CAS number 28163-84-0, is a significant compound in the field of organic chemistry and biochemistry. This linear unsaturated carboxylic acid belongs to the family of enoic acids, characterized by the presence of a double bond in its aliphatic chain. The (3E) configuration indicates the spatial arrangement of the double bond, which influences its chemical reactivity and biological interactions.
The molecular formula of 3-Heptenoic acid, (3E)- is C?H??O?, reflecting its structure as a heptane derivative with a carboxylic acid group and a trans-alkene moiety. This compound exhibits a pungent odor and is soluble in organic solvents such as ethanol, acetone, and dichloromethane, making it suitable for various chemical synthesis applications.
Recent research in the field of bioactive compounds has highlighted the potential of unsaturated carboxylic acids like 3-Heptenoic acid, (3E)- in drug development and pharmacological studies. The double bond in its structure not only allows for diverse chemical modifications but also enables interactions with biological targets that saturated counterparts may lack.
One of the most intriguing aspects of 3-Heptenoic acid, (3E)- is its role as a precursor in synthesizing more complex molecules. For instance, it can be used to produce esters, amides, and other derivatives that exhibit pharmacological activity. These derivatives have been investigated for their potential in treating various conditions, including inflammation and bacterial infections.
In vitro studies have demonstrated that compounds derived from 3-Heptenoic acid, (3E)- can modulate enzymatic pathways involved in cellular signaling. Specifically, researchers have observed that certain derivatives exhibit inhibitory effects on enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in the inflammatory response.
The structural flexibility of 3-Heptenoic acid, (3E)- also makes it a valuable intermediate in the synthesis of natural products. For example, it can be incorporated into terpenoid backbones found in essential oils and plant extracts. These natural products have long been used in traditional medicine and continue to be explored for their therapeutic properties.
Advances in synthetic chemistry have enabled more efficient production methods for 3-Heptenoic acid, (3E)-, making it more accessible for research purposes. Techniques such as catalytic hydrogenation and metathesis reactions allow for precise control over the double bond configuration, ensuring high yields of the desired enantiomer.
The compound's utility extends beyond pharmaceutical applications. In agrochemical research, derivatives of 3-Heptenoic acid, (3E)- have been investigated for their potential as plant growth regulators or pest deterrents. Their ability to interact with biological systems at low concentrations makes them promising candidates for sustainable agriculture practices.
Environmental science has also benefited from the study of 3-Heptenoic acid, (3E)-. Researchers are exploring its degradation pathways and interactions with microbial communities to better understand how organic compounds influence ecosystems. This knowledge is crucial for developing environmentally friendly alternatives to synthetic chemicals.
The safety profile of 3-Heptenoic acid, (3E)- is another area of interest. While it is not classified as a hazardous substance under current regulations, proper handling procedures must be followed to prevent exposure-related health issues. Studies on its toxicity have shown that it is relatively low acute toxicity but may cause skin or eye irritation upon direct contact.
Future research directions for 3-Heptenoic acid, (3E)- include exploring its role in nanotechnology applications. The compound's ability to form stable complexes with nanoparticles could lead to novel drug delivery systems or catalysts with enhanced performance.
In conclusion, 3-Heptenoic acid, (3E)- (CAS No. 28163-84-0) is a versatile compound with significant implications across multiple scientific disciplines. Its unique chemical properties and biological activities make it a valuable tool for researchers in pharmaceuticals, agriculture, and environmental science. As synthetic methods continue to improve and new applications emerge, this compound will undoubtedly play an increasingly important role in scientific innovation.
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