Methyl 2-[4-(Trifluoromethyl)phenyl]acetate - CAS 135325-18-7
Catalog: |
BB059272 |
Product Name: |
Methyl 2-[4-(Trifluoromethyl)phenyl]acetate |
CAS: |
135325-18-7 |
Synonyms: |
Methyl 4-(trifluoromethyl)benzeneacetate; (4-Trifluoromethylphenyl)acetic acid methyl ester; Methyl 4-trifluoromethylbenzeneacetate; Methyl [4-(trifluoromethyl)phenyl]acetate |
IUPAC Name: | methyl 2-[4-(trifluoromethyl)phenyl]acetate |
Description: | Methyl 2-[4-(Trifluoromethyl)phenyl]acetate is a useful research chemical used in the preparation of α-aryldiazoesters as substrates for ruthenium-catalyzed regioselective carbenoid functionalization of indoles. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | COC(=O)CC1=CC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O2/c1-15-9(14)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3 |
InChI Key: | ONNMKZXKTBYWFA-UHFFFAOYSA-N |
References: | Chan, W., et al. Org. Lett., 12, 3, 604-7, (2010). |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
TW-202016116-A | Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
US-2021300936-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
TW-201946629-A | MAT2A heterobicyclic inhibitor and method for treating cancer | 20180330 |
WO-2019191470-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20180330 |
AU-2019243289-A1 | Heterobicyclic inhibitors of MAT2A and methods of use for treating cancer | 20180330 |
CA-3094476-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20180330 |
CN-111936499-A | Heterobicyclic inhibitors of MAT2A and methods for treating cancer | 20180330 |
EP-3774805-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20180330 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05546401 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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