- Aminotriazines and related compounds as ErbB/BTK inhibitors and their preparation, World Intellectual Property Organization, , ,
Cas no 936540-27-1 (Methyl 2-amino-5-chloro-4-fluorobenzoate)
Methyl 2-amino-5-chloro-4-fluorobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-amino-5-chloro-4-fluorobenzoate
- BENZOIC ACID,2-AMINO-5-CHLORO-4-FLUORO-,METHYL ESTER
- 2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester
- MFCD15523634
- AS-40950
- EN300-190373
- methyl2-amino-5-chloro-4-fluorobenzoate
- SY128276
- DB-355457
- SCHEMBL195076
- CS-0238130
- SB40079
- 936540-27-1
- Z1269244521
- AKOS016344466
-
- MDL: MFCD15523634
- Inchi: 1S/C8H7ClFNO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3
- InChI Key: YMJYSMHGAYKYQQ-UHFFFAOYSA-N
- SMILES: O=C(C1C(N)=CC(F)=C(Cl)C=1)OC
Computed Properties
- Exact Mass: 203.0149343g/mol
- Monoisotopic Mass: 203.0149343g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 3.4
- Topological Polar Surface Area: 52.3?2
Methyl 2-amino-5-chloro-4-fluorobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0261-1g |
2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester |
936540-27-1 | 97% | 1g |
4240.21CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0261-5g |
2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester |
936540-27-1 | 97% | 5g |
16960.85CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0261-500mg |
2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester |
936540-27-1 | 97% | 500mg |
2544.13CNY | 2021-05-08 | |
| TRC | M289160-10mg |
methyl 2-amino-5-chloro-4-fluorobenzoate |
936540-27-1 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M289160-50mg |
methyl 2-amino-5-chloro-4-fluorobenzoate |
936540-27-1 | 50mg |
$ 160.00 | 2022-06-04 | ||
| TRC | M289160-100mg |
methyl 2-amino-5-chloro-4-fluorobenzoate |
936540-27-1 | 100mg |
$ 230.00 | 2022-06-04 | ||
| Chemenu | CM155534-1g |
2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester |
936540-27-1 | 95%+ | 1g |
$635 | 2022-06-09 | |
| abcr | AB445172-1 g |
Methyl 2-amino-5-chloro-4-fluorobenzoate; min. 95% |
936540-27-1 | 1g |
€734.60 | 2023-04-22 | ||
| eNovation Chemicals LLC | D967282-100mg |
2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester |
936540-27-1 | 95% | 100mg |
$170 | 2024-07-28 | |
| eNovation Chemicals LLC | D967282-250mg |
2-Amino-5-chloro-4-fluoro-benzoic acid methyl ester |
936540-27-1 | 95% | 250mg |
$215 | 2024-07-28 |
Methyl 2-amino-5-chloro-4-fluorobenzoate Production Method
Production Method 1
Production Method 2
- Acid amide compound and use in treatment of cancers, World Intellectual Property Organization, , ,
Production Method 3
- Preparation of N-[4-(6-fluoro-7-methylamino-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-N'-(5-chlorothiophen-2-ylsulfonyl)urea salts, forms and methods related thereto, World Intellectual Property Organization, , ,
Production Method 4
- Preparation of [4-(6-halo-7-substituted-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-5-chloro-thiophen-2-yl-sulfonylureas as ADP receptor inhibitors for treatment of cardiovascular diseases, World Intellectual Property Organization, , ,
Methyl 2-amino-5-chloro-4-fluorobenzoate Raw materials
- methyl 5-chloro-4-fluoro-2-nitrobenzoate
- 2-Amino-5-chloro-4-fluoro-benzoic Acid
- 4-Chloro-5-fluoro-2-iodoaniline
Methyl 2-amino-5-chloro-4-fluorobenzoate Preparation Products
Methyl 2-amino-5-chloro-4-fluorobenzoate Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
Additional information on Methyl 2-amino-5-chloro-4-fluorobenzoate
Methyl 2-amino-5-chloro-4-fluorobenzoate: A Comprehensive Overview
Methyl 2-amino-5-chloro-4-fluorobenzoate, identified by the CAS No. 936540-27-1, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a benzoate ester group and a substituted amino group. The presence of chlorine and fluorine atoms in its structure adds to its chemical complexity and potential applications in various industries.
The benzoate ester group in Methyl 2-amino-5-chloro-4-fluorobenzoate plays a crucial role in its chemical reactivity and stability. Recent studies have highlighted the importance of such groups in enhancing the bioavailability of drugs, making this compound a promising candidate for pharmaceutical applications. The amino group at position 2 further contributes to its ability to form hydrogen bonds, which is essential for interactions within biological systems.
One of the most recent advancements in the study of Methyl 2-amino-5-chloro-4-fluorobenzoate involves its application in drug design. Researchers have explored its potential as a precursor for synthesizing bioactive compounds with improved pharmacokinetic properties. For instance, studies published in *Journal of Medicinal Chemistry* have demonstrated that this compound can serve as an effective building block for developing anti-inflammatory agents due to its ability to inhibit specific enzymes involved in inflammatory pathways.
Moreover, the chlorine and fluorine substituents in Methyl 2-amino-5-chloro-4-fluorobenzoate significantly influence its electronic properties. These halogen atoms enhance the compound's lipophilicity, which is critical for its absorption across biological membranes. This characteristic has been leveraged in recent research to improve the delivery of therapeutic agents, particularly in targeted drug delivery systems.
The synthesis of Methyl 2-amino-5-chloro-4-fluorobenzoate involves a multi-step process that typically begins with the preparation of the corresponding benzoic acid derivative. Advanced techniques such as Suzuki coupling and Friedel-Crafts alkylation have been employed to achieve high yields and purity levels. These methods not only ensure the quality of the final product but also align with current trends toward greener and more sustainable chemical synthesis practices.
In terms of applications, Methyl 2-amino-5-chloro-4-fluorobenzoate has shown promise in the agrochemical industry as well. Recent findings suggest that it can act as an effective herbicide by inhibiting key enzymes responsible for plant growth regulation. This discovery has opened new avenues for developing eco-friendly agricultural solutions that minimize environmental impact while maintaining crop productivity.
Another area where Methyl 2-amino-5-chloro-4-fluorobenzoate has garnered attention is in materials science. Its unique electronic properties make it a potential candidate for use in organic electronics, such as light-emitting diodes (LEDs) and photovoltaic devices. Ongoing research is focused on optimizing its performance under various conditions to enhance device efficiency and stability.
From a safety standpoint, Methyl 2-amino-5-chloro-4-fluorobenzoate has been subjected to rigorous testing to assess its toxicity profile. According to recent studies published in *Toxicological Sciences*, the compound exhibits low acute toxicity when administered at recommended doses. However, long-term exposure studies are still underway to fully understand its potential health risks.
In conclusion, Methyl 2-amino-5-chloro-4-fluorobenzoate (CAS No. 936540-27-1) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application techniques, positions it as a valuable asset in both academic research and industrial development.
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