Cas no 91-38-3 (4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid)
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid
- 4-chloro-2-(4-methoxyanilino)benzoic acid
- 4-CHLORO-2-(4-METHOXY-PHENYLAMINO)-BENZOIC ACID
- 4-CHLORO-N-(4-METHOXYPHENYL)ANTHRANILIC ACID
- Benzoic acid,4-chloro-2-[(4-methoxyphenyl)amino]-
- 91-38-3
- 4-Chloro-N-(p-methoxyphenyl)anthranilic acid
- KSC-6-284
- 4-Chloro-2-(4-methoxyphenyl)anthranilic acid
- KUC105914
- 5-Chloro-4-methoxydiphenylamine-2-carboxylic acid
- D85629
- AKOS015965671
- NSC-41150
- KAERBVZTGPZZHW-UHFFFAOYSA-N
- BDBM62002
- 4-Chloro-2-[(4-methoxyphenyl)amino] Benzoic acid
- SCHEMBL10834344
- KUC105914N
- NSC 41150
- Anthranilic acid, 4-chloro-N-(p-methoxyphenyl)-
- UNII-4RP3BXZ88A
- DTXSID10238352
- Benzoic acid, 4-chloro-2-((4-methoxyphenyl)amino)-
- NSC41150
- 4-Chloro-2-((4-methoxyphenyl)amino)benzoicacid
- 4RP3BXZ88A
- 4-chloro-2-(4-methoxyphenylamino)benzoic acid
- CHEMBL1729838
- WS-02520
- SB81989
- NS00039396
- cid_66674
- 4-CHLORO-2-[(4-METHOXYPHENYL)AMINO]BENZOIC ACID
- BRN 2748016
- 3-14-00-00957 (Beilstein Handbook Reference)
- 4-chloranyl-2-[(4-methoxyphenyl)amino]benzoic acid
- Benzoic acid, 4-chloro-2-[(4-methoxyphenyl)amino]-
- 4-chloro-2-(p-anisidino)benzoic acid
- EINECS 202-065-2
- A843820
- MFCD00093990
-
- Inchi: 1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-8-9(15)2-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
- InChI Key: KAERBVZTGPZZHW-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C(=O)O)=C(C=1)NC1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 277.050571
- Monoisotopic Mass: 277.050571
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 305
- 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: 5.5
- Topological Polar Surface Area: 58.6
Experimental Properties
- Density: 1.2527 (rough estimate)
- Boiling Point: 433.6°C at 760 mmHg
- Flash Point: 216°C
- Refractive Index: 1.6470 (estimate)
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019095194-1g |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 95% | 1g |
$343.00 | 2023-08-31 | |
| eNovation Chemicals LLC | Y1078417-100mg |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 95% | 100mg |
$265 | 2022-11-02 | |
| eNovation Chemicals LLC | Y1078417-250mg |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 95% | 250mg |
$430 | 2022-11-02 | |
| eNovation Chemicals LLC | Y1078417-1g |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 95% | 1g |
$790 | 2022-11-02 | |
| eNovation Chemicals LLC | Y1336053-100mg |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 96% | 100mg |
$215 | 2023-09-04 | |
| eNovation Chemicals LLC | Y1336053-250mg |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 96% | 250mg |
$375 | 2023-09-04 | |
| eNovation Chemicals LLC | Y1336053-1g |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid |
91-38-3 | 96% | 1g |
$730 | 2023-09-04 | |
| Aaron | AR006O9S-100mg |
4-CHLORO-2-((4-METHOXYPHENYL)AMINO)BENZOIC ACID |
91-38-3 | 96% | 100mg |
$667.00 | 2025-02-11 | |
| Aaron | AR006O9S-250mg |
4-CHLORO-2-((4-METHOXYPHENYL)AMINO)BENZOIC ACID |
91-38-3 | 96% | 250mg |
$1244.00 | 2025-02-11 | |
| Aaron | AR006O9S-500mg |
4-CHLORO-2-((4-METHOXYPHENYL)AMINO)BENZOIC ACID |
91-38-3 | 96% | 500mg |
$1739.00 | 2025-02-11 |
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid
Introduction to 4-Chloro-2-((4-methoxyphenyl)amino)benzoic Acid (CAS No. 91-38-3)
4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid, identified by its Chemical Abstracts Service number CAS No. 91-38-3, is a significant compound in the field of pharmaceutical chemistry and biochemistry. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural and functional properties. The presence of both chloro and methoxy substituents, along with an amino group, makes it a versatile intermediate in the synthesis of various pharmacologically active molecules.
The structural framework of 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid consists of a benzoic acid core, which is a well-known scaffold in medicinal chemistry due to its broad spectrum of biological activities. The chloro substituent at the fourth position and the amino group at the second position introduce specific electronic and steric effects that influence the compound's reactivity and interaction with biological targets. Additionally, the methoxy group at the fourth position of the phenyl ring further modulates these effects, making the compound a valuable building block for drug discovery.
In recent years, there has been growing interest in benzoic acid derivatives due to their potential applications in treating various diseases, including cancer, inflammation, and infectious disorders. The< strong>4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid has been extensively studied for its pharmacological properties. Notably, it has shown promise as an intermediate in the synthesis of kinase inhibitors, which are crucial in targeting aberrant signaling pathways involved in cancer progression.
One of the most compelling aspects of 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid is its role in developing novel therapeutic agents. Researchers have leveraged its structural features to design molecules that exhibit potent inhibitory activity against specific enzymes and receptors. For instance, studies have demonstrated that derivatives of this compound can selectively inhibit tyrosine kinases, which are overexpressed in many cancer cells. This selectivity is critical for minimizing side effects and improving patient outcomes.
The< strong>CAS No. 91-38-3 associated with 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid underscores its importance as a reference compound in chemical databases and literature. This standardized identification ensures that researchers worldwide can accurately reference and utilize this compound in their studies. The availability of high-purity samples under this CAS number facilitates reproducibility and consistency in experimental outcomes.
Recent advancements in computational chemistry have further enhanced the understanding of 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid's interactions with biological targets. Molecular docking simulations have been employed to predict how this compound binds to enzymes and receptors, providing insights into its mechanism of action. These computational approaches complement experimental studies by offering rapid and cost-effective screening of potential drug candidates.
The synthesis of< strong> 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid involves multi-step organic reactions that highlight the expertise required in pharmaceutical chemistry. The process typically begins with the functionalization of benzoic acid derivatives through chlorination and methylation reactions. Subsequent introduction of the amino group via nucleophilic substitution or other coupling techniques completes the molecular structure. Each step must be carefully optimized to ensure high yield and purity, which are essential for subsequent pharmacological evaluations.
In conclusion, 4-Chloro-2-((4-methoxyphenyl)amino)benzoic acid (CAS No. 91-38-3) is a pivotal compound in modern drug discovery efforts. Its unique structural features and demonstrated biological activities make it a valuable tool for developing new therapeutic agents. As research continues to uncover new applications for this compound, its significance in pharmaceutical chemistry is likely to grow even further.
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