Cas no 138907-69-4 (Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate)
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 5-amino-1-(2,5-difluorophenyl)-1H-pyrazole-4-carboxylate
- ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
- M-1454
- 138907-69-4
- DTXSID40696567
- MFCD06795943
- G78758
- AS-11497
- DB-351579
- 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,5-difluorophenyl)-, ethyl ester
- AKOS022181022
- Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
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- MDL: MFCD06795943
- Inchi: 1S/C12H11F2N3O2/c1-2-19-12(18)8-6-16-17(11(8)15)10-5-7(13)3-4-9(10)14/h3-6H,2,15H2,1H3
- InChI Key: LWVCEZBYECDTPN-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1N1C(=C(C(=O)OCC)C=N1)N)F
Computed Properties
- Exact Mass: 267.08200
- Monoisotopic Mass: 267.08193293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 332
- 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: 2.5
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- Melting Point: 84-92°C
- PSA: 70.14000
- LogP: 2.49060
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Storage Condition:Store at room temperature
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E899883-10mg |
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E899883-50mg |
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 50mg |
$ 210.00 | 2022-06-05 | ||
| TRC | E899883-100mg |
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 100mg |
$ 295.00 | 2022-06-05 | ||
| Ambeed | A439239-1g |
Ethyl 5-amino-1-(2,5-difluorophenyl)-1H-pyrazole-4-carboxylate |
138907-69-4 | 95% | 1g |
$503.0 | 2024-04-24 | |
| eNovation Chemicals LLC | Y1257278-50mg |
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,5-difluorophenyl)-, ethyl ester |
138907-69-4 | 97%(GCHPLC) | 50mg |
$125 | 2024-06-08 | |
| eNovation Chemicals LLC | Y1257278-250mg |
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,5-difluorophenyl)-, ethyl ester |
138907-69-4 | 97%(GCHPLC) | 250mg |
$260 | 2024-06-08 | |
| A2B Chem LLC | AA59139-50mg |
Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 98% | 50mg |
$209.00 | 2024-04-20 | |
| A2B Chem LLC | AA59139-250mg |
Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 98% | 250mg |
$601.00 | 2024-04-20 | |
| A2B Chem LLC | AA59139-25mg |
Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 97%(GC) | 25mg |
$109.00 | 2024-04-20 | |
| A2B Chem LLC | AA59139-100mg |
Ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate |
138907-69-4 | 97%(GC) | 100mg |
$331.00 | 2024-04-20 |
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
Additional information on Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
Comprehensive Overview of Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate (CAS No. 138907-69-4)
Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate (CAS No. 138907-69-4) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research and agrochemical development. This compound, characterized by its unique pyrazole core and difluorophenyl substituent, serves as a versatile intermediate in the synthesis of biologically active molecules. Its molecular structure, combining an ethyl carboxylate group with an amino functionality, makes it a valuable building block for drug discovery and material science applications.
In recent years, the demand for fluorinated pyrazole derivatives has surged due to their enhanced metabolic stability and bioavailability. Researchers are particularly interested in CAS 138907-69-4 for its potential role in developing novel antimicrobial agents and anti-inflammatory drugs. The incorporation of fluorine atoms into the phenyl ring significantly influences the compound's electronic properties, making it a hotspot for structure-activity relationship (SAR) studies. This aligns with the growing trend of precision medicine and targeted therapy, where molecular customization is key.
The synthesis of Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate typically involves multi-step reactions, including cyclocondensation and esterification processes. Its purity and yield are critical for downstream applications, prompting advancements in green chemistry techniques to optimize production. Environmental sustainability is a major concern among users, and searches for eco-friendly synthesis methods of such intermediates have spiked. This compound’s compatibility with catalytic hydrogenation and microwave-assisted synthesis further enhances its appeal.
Beyond pharmaceuticals, CAS 138907-69-4 finds utility in agrochemical formulations. Its structural motifs are leveraged to design crop protection agents with improved efficacy against resistant pests. The difluorophenyl moiety, in particular, contributes to the compound’s ability to interfere with pest neuroreceptors, a feature highly sought after in integrated pest management (IPM) systems. This resonates with the global push toward sustainable agriculture and reduced chemical footprints.
Analytical characterization of Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate relies on techniques like NMR spectroscopy, HPLC, and mass spectrometry. These methods ensure compliance with stringent regulatory standards, a topic frequently searched by quality control professionals. The compound’s stability under various pH conditions and thermal profiles is also a subject of ongoing research, addressing user queries about storage optimization and handling protocols.
In the context of drug delivery systems, derivatives of 138907-69-4 are explored for their prodrug potential. The ethyl ester group can be hydrolyzed in vivo to release active metabolites, a mechanism pivotal for controlled-release formulations. This aligns with the rising interest in personalized therapeutics and nanocarrier technologies, often highlighted in academic and industrial forums.
To conclude, Ethyl 5-Amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate (CAS No. 138907-69-4) exemplifies the intersection of chemical innovation and practical application. Its relevance in cutting-edge research and industrial processes underscores its importance in modern science. As inquiries about fluorinated heterocycles and multifunctional intermediates continue to rise, this compound remains a focal point for advancements in life sciences and material engineering.
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