Cas no 86819-50-3 (Isopropyl 5-amino-2-chlorobenzoate)
Isopropyl 5-amino-2-chlorobenzoate Chemical and Physical Properties
Names and Identifiers
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- Isopropyl 5-amino-2-chlorobenzoate
- Benzoic acid, 5-amino-2-chloro-, 1-methylethyl ester
- isopropyl 5-amino-2-chlorobenzoate(SALTDATA: FREE)
- 1-methylethyl 5-amino-2-chlorobenzoate
- 4-chloro-3-isopropyloxycarbonylaniline
- isopropyl 2-chloro-5-aminobenzoate
- propan-2-yl 5-amino-2-chlorobenzoate
- NSC641455
- ISOPROPYL5-AMINO-2-CHLOROBENZOATE
- XEHDGJHIPJRFLH-UHFFFAOYSA-N
- SR-01000274167-1
- MFCD05133182
- Isopropyl-5-amino-2-chlorobenzoate
- VS-09744
- 5-Amino-2-chloro-benzoic acid isopropyl ester
- CS-0312814
- SCHEMBL1274929
- SR-01000274167
- 86819-50-3
- 5-Amino-2-chlorobenzoic acid isopropyl ester
- AKOS000113006
- SB78718
- 1-Methylethyl 5-amino-2-chloro-benzoate
- NSC-641455
-
- MDL： MFCD05133182
- Inchi： 1S/C10H12ClNO2/c1-6(2)14-10(13)8-5-7(12)3-4-9(8)11/h3-6H,12H2,1-2H3
- InChI Key： XEHDGJHIPJRFLH-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=C1C(=O)OC(C)C)N
Computed Properties
- Exact Mass: 213.05600
- Monoisotopic Mass: 213.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 3.5
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32000
- LogP: 3.06860
Isopropyl 5-amino-2-chlorobenzoate Customs Data
- HS CODE：2922499990
- Customs Data：
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
Isopropyl 5-amino-2-chlorobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 180550-1g |
5-Amino-2-chlorobenzoic acid isopropyl ester, 95%+ |
86819-50-3 | 95% | 1g |
$119.00 | 2023-09-10 | |
| TRC | I822520-10mg |
isopropyl 5-amino-2-chlorobenzoate |
86819-50-3 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I822520-50mg |
isopropyl 5-amino-2-chlorobenzoate |
86819-50-3 | 50mg |
$ 65.00 | 2022-06-04 | ||
| TRC | I822520-100mg |
isopropyl 5-amino-2-chlorobenzoate |
86819-50-3 | 100mg |
$ 80.00 | 2022-06-04 | ||
| Apollo Scientific | OR346571-1g |
5-Amino-2-chlorobenzoic acid isopropyl ester |
86819-50-3 | 95+% | 1g |
￡70.00 | 2024-05-25 | |
| abcr | AB216231-1 g |
Isopropyl 5-amino-2-chlorobenzoate, 95%; . |
86819-50-3 | 95% | 1g |
€121.80 | 2022-06-11 | |
| abcr | AB216231-1g |
Isopropyl 5-amino-2-chlorobenzoate, 95%; . |
86819-50-3 | 95% | 1g |
€141.10 | 2025-04-16 | |
| abcr | AB216231-5g |
Isopropyl 5-amino-2-chlorobenzoate, 95%; . |
86819-50-3 | 95% | 5g |
€351.30 | 2025-04-16 | |
| abcr | AB216231-10g |
Isopropyl 5-amino-2-chlorobenzoate, 95%; . |
86819-50-3 | 95% | 10g |
€551.00 | 2025-04-16 | |
| 1PlusChem | 1P008FBQ-1g |
Benzoic acid, 5-amino-2-chloro-, 1-methylethyl ester |
86819-50-3 | 95% | 1g |
$72.00 | 2025-02-24 |
Isopropyl 5-amino-2-chlorobenzoate Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Additional information on Isopropyl 5-amino-2-chlorobenzoate
Recent Advances in the Application of Isopropyl 5-amino-2-chlorobenzoate (CAS: 86819-50-3) in Chemical Biology and Pharmaceutical Research
Isopropyl 5-amino-2-chlorobenzoate (CAS: 86819-50-3) is a chemical compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This ester derivative of 5-amino-2-chlorobenzoic acid serves as a crucial intermediate in the synthesis of various bioactive molecules, including pharmaceuticals, agrochemicals, and specialty chemicals. Recent studies have highlighted its potential in drug discovery, particularly in the development of novel therapeutic agents targeting infectious diseases, cancer, and neurological disorders.
The compound's unique chemical structure, characterized by the presence of an amino group and a chloro substituent on the benzene ring, makes it a valuable building block for the synthesis of more complex molecules. Researchers have exploited its reactivity to create libraries of derivatives with enhanced biological activity and improved pharmacokinetic properties. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of Isopropyl 5-amino-2-chlorobenzoate in the synthesis of potent kinase inhibitors, showcasing its role in addressing unmet medical needs in oncology.
Recent advancements in synthetic methodologies have further expanded the applications of Isopropyl 5-amino-2-chlorobenzoate. Green chemistry approaches, such as microwave-assisted synthesis and catalytic reactions, have been employed to improve the efficiency and sustainability of its production. These innovations not only reduce environmental impact but also enhance the scalability of processes involving this compound, making it more accessible for industrial applications.
In the realm of drug delivery, Isopropyl 5-amino-2-chlorobenzoate has shown promise as a prodrug moiety. Its ester functionality can be strategically utilized to improve the bioavailability of poorly soluble drugs, as evidenced by recent research in pharmaceutical formulations. Studies have demonstrated that conjugation of therapeutic agents with this ester can enhance their membrane permeability and targeted delivery, particularly in the treatment of central nervous system disorders.
The safety profile and toxicological aspects of Isopropyl 5-amino-2-chlorobenzoate have also been subjects of recent investigations. Regulatory agencies and research institutions have conducted comprehensive evaluations to establish guidelines for its handling and use in pharmaceutical manufacturing. These studies have contributed to a better understanding of the compound's stability, degradation pathways, and potential impurities, ensuring its safe application in drug development processes.
Looking forward, the versatility of Isopropyl 5-amino-2-chlorobenzoate continues to inspire innovative research directions. Its incorporation into combinatorial chemistry platforms and high-throughput screening assays is expected to accelerate the discovery of new therapeutic candidates. Furthermore, the integration of computational chemistry and artificial intelligence in molecular design is opening new possibilities for optimizing derivatives based on this chemical scaffold, potentially leading to breakthrough treatments in various disease areas.
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