Cas no 1805528-47-5 (Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate)
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate is a fluorinated aromatic ester with a highly electron-deficient benzene core, making it a valuable intermediate in organic synthesis. The presence of two trifluoromethyl groups enhances its reactivity in electrophilic substitution and cross-coupling reactions, while the methyl ester group provides a handle for further functionalization. This compound is particularly useful in pharmaceutical and agrochemical research, where trifluoromethylated aromatics are sought after for their metabolic stability and lipophilicity. Its robust stability under a range of conditions and compatibility with organometallic catalysts further contribute to its utility in complex molecule construction.
1805528-47-5 structure
Product Name:Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate
CAS No:1805528-47-5
MF:C11H8F6O2
MW:286.170444488525
CID:4954704
Update Time:2025-06-06
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate
-
- Inchi: 1S/C11H8F6O2/c1-5-3-6(9(18)19-2)8(11(15,16)17)7(4-5)10(12,13)14/h3-4H,1-2H3
- InChI Key: BWFBVMPWAMBUHZ-UHFFFAOYSA-N
- SMILES: FC(C1C(C(=O)OC)=CC(C)=CC=1C(F)(F)F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 335
- XLogP3: 3.9
- Topological Polar Surface Area: 26.3
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015009088-1g |
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate |
1805528-47-5 | 97% | 1g |
1,460.20 USD | 2021-06-21 |
Methyl 2,3-bis(trifluoromethyl)-5-methylbenzoate Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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