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434-45-7 | 2,2,2-Trifluoro-1-Phenylethanone
CAS No: 434-45-7 Catalog No: AG0032W5 MDL No:MFCD00000420
Product Description
Catalog Number:
AG0032W5
Chemical Name:
2,2,2-Trifluoro-1-Phenylethanone
CAS Number:
434-45-7
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
MDL Number:
MFCD00000420
IUPAC Name:
2,2,2-trifluoro-1-phenylethanone
InChI:
InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChI Key:
KZJRKRQSDZGHEC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccccc1
EC Number:
207-103-1
UNII:
6T7L1UPY09
NSC Number:
42752
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.122g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Stereoselective synthesis of unsaturated and functionalized L-NHBoc amino acids, using Wittig reaction under mild phase-transfer conditions. | The Journal of organic chemistry 20120907 |
| Weak interactions in the assembly of strongly chemisorbed molecules. | Chemical communications (Cambridge, England) 20110828 |
| Expanding Mg-Zn hybrid chemistry: inorganic salt effects in addition reactions of organozinc reagents to trifluoroacetophenone and the implications for a synergistic lithium-magnesium-zinc activation. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110718 |
| Shedding new light on ZnCl2-mediated addition reactions of Grignard reagents to ketones: structural authentication of key intermediates and diffusion-ordered NMR studies. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110411 |
| Rational electronic tuning of CBS catalyst for highly enantioselective borane reduction of trifluoroacetophenone. | Chemical communications (Cambridge, England) 20101207 |
| m-Azipropofol (AziPm) a photoactive analogue of the intravenous general anesthetic propofol. | Journal of medicinal chemistry 20100812 |
| Reaction of β-diketiminate tin(II) dimethylamide LSnNMe₂ [L = HC(CMeNAr)₂; Ar = 2,6-iPr₂C₆H₃] with ketones and alkynes. | Dalton transactions (Cambridge, England : 2003) 20100521 |
| New insights into addition reactions of dialkylzinc reagents to trifluoromethyl ketones: structural authentication of a beta-hydride elimination product containing a tetranuclear zinc chain. | Dalton transactions (Cambridge, England : 2003) 20100114 |
| P(PhCH2NCH2CH2)3N catalysis of Mukaiyama aldol reactions of aliphatic, aromatic, and heterocyclic aldehydes and trifluoromethyl phenyl ketone. | The Journal of organic chemistry 20091106 |
| Fluorescence 'turn-on' sensing of carboxylate anions with oligothiophene-based o-(carboxamido)trifluoroacetophenones. | The Journal of organic chemistry 20080905 |
| Chemosensor for the optical detection of aliphatic amines and diamines. | Chemical communications (Cambridge, England) 20080521 |
| N-heterocyclic carbene-catalyzed Mukaiyama aldol reactions. | Organic letters 20070315 |
| Novel trifluoroacetophenone derivatives as malonyl-CoA decarboxylase inhibitors. | Bioorganic & medicinal chemistry letters 20070215 |
| The first organocatalytic carbonyl-ene reaction: isomerisation-free C-C bond formations catalysed by H-bonding thio-ureas. | Beilstein journal of organic chemistry 20070101 |
| 2-Chloro-2,2-difluoroacetophenone: a non-ODS-based difluorocarbene precursor and its use in the difluoromethylation of phenol derivatives. | The Journal of organic chemistry 20061222 |
| Bimolecular hydrogen abstraction from phenols by aromatic ketone triplets. | Photochemistry and photobiology 20060101 |
| Generation of acyl anion equivalents from acylphosphonates via phosphonate-phosphate rearrangement: a highly practical method for cross-benzoin reaction. | The Journal of organic chemistry 20051209 |
| Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics. | Journal of medicinal chemistry 20050324 |
| Probing stereoselective inhibition of the acyl binding site of cholesterol esterase with four diastereomers of 2'-N-alpha-methylbenzylcarbamyl-1, 1'-bi-2-naphthol. | BMC biochemistry 20050101 |
| Potentiometric and theoretical studies of the carbonate sensors based on 3-bromo-4-hexyl-5-nitrotrifluoroacetophenone. | The Analyst 20040301 |
| Use of classical and 3-D QSAR to examine the hydration state of juvenile hormone esterase inhibitors. | Bioorganic & medicinal chemistry 20031117 |
| Carbonate ion-selective electrode with reduced interference from salicylate. | Biosensors & bioelectronics 20030301 |
| Trifluoroacetophenone derivatives as amino acid selective ionophores for the potentiometric determination of phenylalanine. | Angewandte Chemie (International ed. in English) 20020816 |
| Water treatment by TiO2 photocatalysis and/or ultrasound: degradations of phenyltrifluoromethylketone, a trifluoroacetic-acid-forming pollutant, and octan-1 -ol, a very hydrophobic pollutant. | Water science and technology : a journal of the International Association on Water Pollution Research 20010101 |
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