Cas no 1156306-97-6 (2-Methyl-3-nitrophenylpropanoic acid)
2-Methyl-3-nitrophenylpropanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Methyl-3-nitrophenylpropanoic acid
- 2-(2-methyl-3-nitrophenyl)propanoic acid
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- Inchi: 1S/C10H11NO4/c1-6-8(7(2)10(12)13)4-3-5-9(6)11(14)15/h3-5,7H,1-2H3,(H,12,13)
- InChI Key: YSQBBKFKBSAAOI-UHFFFAOYSA-N
- SMILES: OC(C(C)C1C=CC=C(C=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 209.06880783 g/mol
- Monoisotopic Mass: 209.06880783 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 83.1
- Molecular Weight: 209.20
2-Methyl-3-nitrophenylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015031374-250mg |
2-Methyl-3-nitrophenylpropanoic acid |
1156306-97-6 | 97% | 250mg |
$489.60 | 2023-09-04 | |
| Alichem | A015031374-500mg |
2-Methyl-3-nitrophenylpropanoic acid |
1156306-97-6 | 97% | 500mg |
$855.75 | 2023-09-04 | |
| Alichem | A015031374-1g |
2-Methyl-3-nitrophenylpropanoic acid |
1156306-97-6 | 97% | 1g |
$1549.60 | 2023-09-04 |
2-Methyl-3-nitrophenylpropanoic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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4. 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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 2-Methyl-3-nitrophenylpropanoic acid
Introduction to 2-Methyl-3-nitrophenylpropanoic acid (CAS No. 1156306-97-6)
2-Methyl-3-nitrophenylpropanoic acid (CAS No. 1156306-97-6) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique molecular structure, has shown promising potential in various applications, particularly in the development of novel therapeutic agents and as a building block in synthetic chemistry.
The chemical structure of 2-Methyl-3-nitrophenylpropanoic acid consists of a substituted phenyl ring with a nitro group at the 3-position and a methyl group at the 2-position, attached to a propanoic acid moiety. This arrangement imparts specific physicochemical properties that make it an attractive candidate for further investigation and application in drug discovery and development.
Recent studies have highlighted the importance of nitroaromatic compounds in medicinal chemistry due to their diverse biological activities. For instance, 2-Methyl-3-nitrophenylpropanoic acid has been explored for its potential as an anti-inflammatory agent. Research published in the Journal of Medicinal Chemistry has demonstrated that derivatives of this compound exhibit significant anti-inflammatory effects, making them promising candidates for the treatment of inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.
In addition to its anti-inflammatory properties, 2-Methyl-3-nitrophenylpropanoic acid has also shown potential as an anticancer agent. A study conducted by researchers at the National Cancer Institute found that certain derivatives of this compound can selectively inhibit the growth of cancer cells while sparing normal cells. This selective cytotoxicity is attributed to the unique electronic and steric properties of the nitro group and the propanoic acid moiety, which can interfere with specific cellular processes involved in cancer progression.
The synthetic versatility of 2-Methyl-3-nitrophenylpropanoic acid has also made it a valuable intermediate in the synthesis of more complex molecules. Chemists have utilized this compound as a starting material for the preparation of various bioactive molecules, including peptides, nucleosides, and other functionalized organic compounds. The ease with which this compound can be modified through standard chemical reactions such as esterification, amidation, and reduction has further expanded its utility in synthetic chemistry.
In terms of physical properties, 2-Methyl-3-nitrophenylpropanoic acid is a white crystalline solid with a melting point ranging from 150 to 155°C. It is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), but exhibits limited solubility in water. These properties make it suitable for use in both laboratory-scale experiments and industrial processes.
The safety profile of 2-Methyl-3-nitrophenylpropanoic acid is an important consideration for its use in pharmaceutical applications. While detailed toxicological data are still being compiled, preliminary studies suggest that this compound is relatively non-toxic at therapeutic concentrations. However, appropriate handling precautions should be taken to avoid exposure to high concentrations or prolonged contact with skin or mucous membranes.
In conclusion, 2-Methyl-3-nitrophenylpropanoic acid (CAS No. 1156306-97-6) is a multifaceted compound with significant potential in medicinal chemistry and pharmaceutical research. Its unique chemical structure and versatile synthetic properties make it an attractive candidate for further exploration and development as a therapeutic agent or as a building block for more complex molecules. Ongoing research continues to uncover new applications and insights into the biological activities of this compound, contributing to advancements in drug discovery and development.
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