(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanone - CAS 35853-55-5
Catalog: |
BB022772 |
Product Name: |
(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanone |
CAS: |
35853-55-5 |
Synonyms: |
[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone |
IUPAC Name: | [2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone |
Description: | (2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanone (CAS# 35853-55-5) is an intermediate in the synthesis of Mefloquine Hydrochloride (M207052) which is a labelled quinoline methanol antimalarial agent. |
Molecular Weight: | 370.25 |
Molecular Formula: | C17H8F6N2O |
Canonical SMILES: | C1=CC=NC(=C1)C(=O)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C17H8F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h1-8H |
InChI Key: | GZTUXOWPGYDWNO-UHFFFAOYSA-N |
Boiling Point: | 709.3 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.501 g/cm3 |
MDL: | MFCD05863551 |
LogP: | 4.89840 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020197480-A1 | Combination comprising a particular polymyxin | 20170609 |
WO-2018224843-A1 | Combination comprising a particular polymyxin | 20170609 |
EP-2233481-A1 | Method for making mefloquine | 20090327 |
CN-1250540-C | Improved single-reactor synthesis of [2,8-di(trifluoromethyl)-4-quinolyl]-2-pyridyl methyl ketone and methylfluoro quine | 20010202 |
CN-1370777-A | Improved single-reactor synthesis of [2,8-di(trifluoromethyl)-4-quinolyl]-2-pyridyl methyl ketone and methylfluoro quine | 20010202 |
Complexity: | 520 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 370.05408186 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 370.05408186 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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