Cas no 64750-89-6 (2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)-)
The compound 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)- is a fluorinated unsaturated ester with notable applications in organic synthesis and pharmaceutical intermediates. Its (Z)-configuration ensures stereochemical specificity, making it valuable for controlled reactions. The trifluoromethyl group enhances electrophilic reactivity and metabolic stability, while the ethyl ester moiety improves solubility and processing in synthetic workflows. This compound is particularly useful in the preparation of fluorinated analogs of bioactive molecules, leveraging its structural features for enhanced binding or stability. Its well-defined purity and consistent performance make it a reliable choice for research and industrial applications requiring precise fluorinated building blocks.
64750-89-6 structure
Product Name:2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)-
CAS No:64750-89-6
MF:C7H9F3O2
MW:182.140372991562
CID:4100947
PubChem ID:5702870
Update Time:2025-11-02
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)-
- 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (2Z)-
- 4-amino-2-thioxo-3-p-tolyl-2,3-dihydro-thiazole-5-carboxylicacidanilide
- ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate
- SCHEMBL5704767
- EN300-1460201
- AKOS005063594
- (Z)-4,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl ester
- ethyl (Z)-4,4,4-trifluoro-3-methylbut-2-enoate
- Ethyl 3-(trifluoromethyl)crotonate
- MFCD00040846
- ethyl 3-trifluoromethylcrotonate
- 24490-03-7
- Ethyl (3-trifluoromethyl)crotonate
- 64750-89-6
-
- Inchi： 1S/C7H9F3O2/c1-3-12-6(11)4-5(2)7(8,9)10/h4H,3H2,1-2H3/b5-4-
- InChI Key： OSZLARYVWBUKTG-PLNGDYQASA-N
- SMILES： C(OCC)(=O)/C=C(/C)\C(F)(F)F
Computed Properties
- Exact Mass: 182.05546401Da
- Monoisotopic Mass: 182.05546401Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3?2
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1460201-0.05g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 0.05g |
$168.0 | 2023-06-06 | |
| Enamine | EN300-1460201-0.1g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 0.1g |
$252.0 | 2023-06-06 | |
| Enamine | EN300-1460201-0.25g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 0.25g |
$361.0 | 2023-06-06 | |
| Enamine | EN300-1460201-0.5g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 0.5g |
$569.0 | 2023-06-06 | |
| Enamine | EN300-1460201-1.0g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 1g |
$728.0 | 2023-06-06 | |
| Enamine | EN300-1460201-2.5g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 2.5g |
$1428.0 | 2023-06-06 | |
| Enamine | EN300-1460201-5.0g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 5g |
$2110.0 | 2023-06-06 | |
| Enamine | EN300-1460201-10.0g |
ethyl (2Z)-4,4,4-trifluoro-3-methylbut-2-enoate |
64750-89-6 | 95% | 10g |
$3131.0 | 2023-06-06 | |
| 1PlusChem | 1P01GVSO-50mg |
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)- |
64750-89-6 | 95% | 50mg |
$262.00 | 2024-04-22 | |
| 1PlusChem | 1P01GVSO-100mg |
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)- |
64750-89-6 | 95% | 100mg |
$363.00 | 2024-04-22 |
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (Z)- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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