Cas no 110821-29-9 (Ethyl 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate)
Ethyl 3-Imino-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrazole-4-carboxylate is a fluorinated pyrazole derivative with potential applications in medicinal chemistry and agrochemical research. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the imino and ester functionalities offer versatility for further chemical modifications. This compound serves as a valuable intermediate in the synthesis of biologically active molecules, particularly in the development of enzyme inhibitors or receptor modulators. Its well-defined structure allows for precise control in synthetic pathways, making it useful for structure-activity relationship (SAR) studies. The ethyl ester group also provides a convenient handle for hydrolysis or transesterification reactions, facilitating downstream derivatization.
110821-29-9 structure
Product Name:Ethyl 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate
CAS No:110821-29-9
MF:C13H14FN3O2
MW:263.267566204071
MDL:MFCD07388524
CID:137908
PubChem ID:53421540
Update Time:2025-05-19
Ethyl 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-amino-1-(3-(fluoromethyl)phenyl)-1H-pyrazole-4-carboxylate
- 1H-Pyrazole-4-carboxylicacid, 5-amino-1-[3-(trifluoromethyl)phenyl]-, ethyl ester
- ethyl 5-amino-1-[3-(fluoromethyl)phenyl]pyrazole-4-carboxylate
- 5-amino-1-(3-trifluoromethyl)phenyl-1H-pyrazole-4-carboxylic acid,ethyl ester
- 5-AMINO-1-[5-(FLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- ethyl 5-amino-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylate
- 5-AMINO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- 110821-29-9
- 5-amino-1-[3-(fluoromethyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester
- Ethyl 5-amino-1-[3-(fluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
- ethyl 5-azanyl-1-[3-(fluoranylmethyl)phenyl]pyrazole-4-carboxylate
- Ethyl5-amino-1-(3-(fluoromethyl)phenyl)-1H-pyrazole-4-carboxylate
- DTXSID90697822
- A802250
- SCHEMBL16479382
- Ethyl 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate
-
- MDL： MFCD07388524
- Inchi： 1S/C13H14FN3O2/c1-2-19-13(18)11-8-16-17(12(11)15)10-5-3-4-9(6-10)7-14/h3-6,8H,2,7,15H2,1H3
- InChI Key： BCENAVHNYSEFOR-UHFFFAOYSA-N
- SMILES： FCC1=CC=CC(=C1)N1C(=C(C(=O)OCC)C=N1)N
Computed Properties
- Exact Mass: 299.08800
- Monoisotopic Mass: 263.107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 316
- 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
- Topological Polar Surface Area: 70.1A^2
- XLogP3: 2.5
Experimental Properties
- PSA: 70.14000
- LogP: 3.23120
Ethyl 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-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 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E900310-25mg |
Ethyl 3-Imino-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrazole-4-carboxylate |
110821-29-9 | 25mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E900310-50mg |
Ethyl 3-Imino-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrazole-4-carboxylate |
110821-29-9 | 50mg |
$ 95.00 | 2022-06-05 | ||
| TRC | E900310-250mg |
Ethyl 3-Imino-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrazole-4-carboxylate |
110821-29-9 | 250mg |
$ 320.00 | 2022-06-05 | ||
| Chemenu | CM485892-1g |
Ethyl 5-amino-1-(3-(fluoromethyl)phenyl)-1H-pyrazole-4-carboxylate |
110821-29-9 | 95% | 1g |
$431 | 2022-06-14 | |
| Enamine | EN300-29928-0.05g |
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate |
110821-29-9 | 98% | 0.05g |
$66.0 | 2023-09-06 | |
| Enamine | EN300-29928-0.1g |
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate |
110821-29-9 | 98% | 0.1g |
$98.0 | 2023-09-06 | |
| Enamine | EN300-29928-0.25g |
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate |
110821-29-9 | 98% | 0.25g |
$142.0 | 2023-09-06 | |
| Enamine | EN300-29928-0.5g |
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate |
110821-29-9 | 98% | 0.5g |
$271.0 | 2023-09-06 | |
| Enamine | EN300-29928-1.0g |
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate |
110821-29-9 | 98% | 1.0g |
$371.0 | 2023-02-14 | |
| Enamine | EN300-29928-2.5g |
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate |
110821-29-9 | 98% | 2.5g |
$726.0 | 2023-09-06 |
Ethyl 3-Imino-2-3-(trifluoromethyl)phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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