Name: Name:Methyl 4-trifluoromethylbenzoylacetate
Brand: AABLOCKS
SKU: AA00BD05
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00BD05

Chemical Name: Methyl 4-trifluoromethylbenzoylacetate

CAS Number: 212755-76-5

Molecular Formula: C11H9F3O3

Molecular Weight: 246.1826

MDL Number: MFCD00216521

SMILES: COC(=O)CC(=O)c1ccc(cc1)C(F)(F)F

Properties

Complexity: 291

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 17

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Downstream Synthesis Route

6485-52-5

212755-76-5

methyl(2Z)-3-(1S)-2-amino-2-oxo-1-phenylethylamino}-3-4-(trifluoromethyl)phenylacrylate

[1]Ikemoto,Norihiro;Tellers,DavidM.;Dreher,SpencerD.;Liu,Jinchu;Huang,Angie;Rivera,NeloR.;Njolito,Eugenia;Hsiao,Yi;McWilliams,J.Christopher;Williams,J.Michael;ArmstrongIII,JosephD.;Sun,Yongkui;Mathre,DavidJ.;Grabowski,EdwardJ.J.;Tillyer,RichardD.[JournaloftheAmericanChemicalSociety,2004,vol.126,#10,p.3048-3049]

212755-76-5

methyl(S)-3-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoate

[1]Hu,Aiguo;Ngo,HelenL.;Lin,Wenbin[AngewandteChemie-InternationalEdition,2004,vol.43,#19,p.2501-2504]

212755-76-5

methyl3-hydroxy-3-(4-trifluoromethylphenyl)propionate

[1]Kesanli,Banu;Lin,Wenbin[ChemicalCommunications,2004,#20,p.2284-2285]

212755-76-5

methyl(R)-3-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoate

methyl(S)-3-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoate

[1]Kesanli,Banu;Lin,Wenbin[ChemicalCommunications,2004,#20,p.2284-2285]

212755-76-5

methyl(2Z)-3-amino-3-4-(trifluoromethyl)phenylacrylate

[1]Ramtohul,YeemanK.;Chartrand,Anik[OrganicLetters,2007,vol.9,#6,p.1029-1032]

[2]Yang,Peng;Xu,Haiyan;Zhou,Jianrong[AngewandteChemie-InternationalEdition,2014,vol.53,#45,p.12210-12213][Angew.Chem.,2014,vol.126,#45,p.12406-12409,4]

212755-76-5 | Methyl 4-trifluoromethylbenzoylacetate