Methyl 2-Amino-4-(trifluoromethyl)benzoate - CAS 61500-87-6
Catalog: |
BB031148 |
Product Name: |
Methyl 2-Amino-4-(trifluoromethyl)benzoate |
CAS: |
61500-87-6 |
Synonyms: |
2-amino-4-(trifluoromethyl)benzoic acid methyl ester; methyl 2-amino-4-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 2-amino-4-(trifluoromethyl)benzoate |
Description: | Methyl 2-Amino-4-(trifluoromethyl)benzoate (CAS# 61500-87-6) is an intermediate used to prepare quinazolinedione sulfonamides as competitive AMPA receptor antagonists. It is also used in the synthesis of (arylamino)pyrimidobenzazepinones and pyrimidobenzazepinethiones as inhibitors of polo-like kinase 1 and potential antitumor agents. |
Molecular Weight: | 219.16 |
Molecular Formula: | C9H8F3NO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N |
InChI: | InChI=1S/C9H8F3NO2/c1-15-8(14)6-3-2-5(4-7(6)13)9(10,11)12/h2-4H,13H2,1H3 |
InChI Key: | DZICUHOFOOPVFM-UHFFFAOYSA-N |
Boiling Point: | 267.5 °C at 760 mmHg |
Density: | 1.343 g/cm3 |
MDL: | MFCD08543939 |
LogP: | 2.65540 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021188857-A1 | Sos1 inhibitors | 20191220 |
WO-2021127429-A1 | Sos1 inhibitors | 20191220 |
WO-2021037219-A1 | Pyrazole derivative for fgfr inhibitor and preparation method therefor | 20190831 |
CN-112441980-A | Pyrazole derivatives for FGFR inhibitor and preparation method thereof | 20190831 |
WO-2020021064-A1 | Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4 | 20180726 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05071298 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05071298 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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