2-[3,5-Bis(trifluoromethyl)phenyl]-2-methylpropionic Acid - CAS 289686-70-0
Catalog: |
BB020030 |
Product Name: |
2-[3,5-Bis(trifluoromethyl)phenyl]-2-methylpropionic Acid |
CAS: |
289686-70-0 |
Synonyms: |
2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid; 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid |
IUPAC Name: | 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid |
Description: | 2-[3,5-Bis(trifluoromethyl)phenyl]-2-methylpropionic Acid (CAS# 289686-70-0) is a reagent used in the synthesis of NK1/NK3 receptor antagonists used in the treatment of depression. |
Molecular Weight: | 300.20 |
Molecular Formula: | C12H10F6O2 |
Canonical SMILES: | CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C12H10F6O2/c1-10(2,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,1-2H3,(H,19,20) |
InChI Key: | ORLKRFYFNMCQIG-UHFFFAOYSA-N |
LogP: | 4.08640 |
Publication Number | Title | Priority Date |
CN-112144282-A | Preparation process of heat-preservation carbon fiber reinforced resin composite fabric | 20200901 |
WO-2021094247-A1 | New chemical process for making 6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-amine a key intermediate of nt-814 | 20191115 |
CN-110283066-A | It is a kind of how smooth intermediate 2-(3,5- bis- (trifluoromethyl) phenyl of appropriate pyrrole) -2 Methylpropionic acid synthetic method | 20190614 |
CN-107698500-A | A kind of preparation method of Netupitant | 20171017 |
CN-107721815-A | The preparation method of one kind 2 (3,5 2 (trifluoromethyl) phenyl) 2 methylpropanoic acids of synthesis | 20170921 |
PMID | Publication Date | Title | Journal |
16496986 | 20060303 | Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives | The Journal of organic chemistry |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.05849853 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.05849853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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