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Home Fluorides 709-63-7
709-63-7,MFCD00000401
Catalog No.:AA0033RF

709-63-7 | 4-Acetylbenzotrifluoride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$16.00   $11.00
- +
10g
98%
in stock  
$23.00   $16.00
- +
25g
95%
in stock  
$31.00   $22.00
- +
100g
98%
in stock  
$64.00   $45.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033RF
Chemical Name:
4-Acetylbenzotrifluoride
CAS Number:
709-63-7
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD00000401
SMILES:
CC(=O)c1ccc(cc1)C(F)(F)F
NSC Number:
88346
Properties
Properties
 
BP:
204.9 °C at 760 mmHg  
Form:
Solid  
MP:
30-33 °C(lit.)  
Refractive Index:
1.4604  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Upstream Synthesis Route

[1]OrganicLetters,2014,vol.16,#1,p.66-69

[1]JournaloftheAmericanChemicalSociety,2018,vol.140,#6,p.2036-2040

[1]ACSCatalysis,2018,vol.8,#4,p.2839-2843

[1]TetrahedronLetters,2011,vol.52,#11,p.1217-1221

[2]JournalofMedicinalChemistry,2011,vol.54,#12,p.4042-4056

[3]Patent:US2003/199508,2003,A1,

[4]Biochemistry,2010,vol.49,#36,p.7913-7919

[1]JournalofMedicinalChemistry,2001,vol.44,#20,p.3231-3243

[2]OrganicandBiomolecularChemistry,2007,vol.5,#16,p.2690-2697

[3]Patent:CN107629022,2018,A,.Locationinpatent:Paragraph0473;0474;0475;0476

[4]Journalofagriculturalandfoodchemistry,2002,vol.50,#12,p.3486-3490

[5]JournalofPharmaceuticalSciences,2014,vol.103,#9,p.2797-2808

[6]Tetrahedron,2008,vol.64,#22,p.5191-5199

[7]JournaloftheAmericanChemicalSociety,1953,vol.75,p.5884,5886

[8]JournalofPhysicalChemistry,1995,vol.99,#20,p.8190-8195

[9]JournalofMedicinalChemistry,1996,vol.39,#1,p.253-266

[10]Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.507-515

[11]Journalofmedicinalchemistry,1972,vol.15,#9,p.989-994

[12]BioorganicandMedicinalChemistryLetters,2002,vol.12,#21,p.3047-3050

[13]Tetrahedron,2003,vol.59,#8,p.1317-1325

[14]JournalofMedicinalChemistry,2007,vol.50,#3,p.528-542

[15]BioorganicandMedicinalChemistryLetters,2007,vol.17,#6,p.1746-1749

[16]Tetrahedron,2008,vol.64,#22,p.5191-5199

[17]Patent:WO2010/129665,2010,A2,.Locationinpatent:Page/Pagecolumn109

[18]BioorganicandMedicinalChemistry,2012,vol.20,#7,p.2316-2322

[19]EuropeanJournalofMedicinalChemistry,2012,vol.52,p.70-81

[20]BioorganicandMedicinalChemistryLetters,2013,vol.23,#7,p.2031-2034

[21]JournalofOrganicChemistry,2013,vol.78,#12,p.6276-6280

[22]AngewandteChemie-InternationalEdition,2013,vol.52,#44,p.11632-11636

[23]Angew.Chem.,2013,vol.125,#44,p.11846-11850,5

[24]Chemistry-AEuropeanJournal,2014,vol.20,#20,p.5983-5993

[25]JournalofMedicinalChemistry,2014,vol.57,#15,p.6572-6582

[26]EuropeanJournalofOrganicChemistry,2014,vol.2014,#34,p.7707-7715

[27]DrugDesign,DevelopmentandTherapy,2016,vol.10,p.1807-1815

[28]Patent:CN105315279,2016,A,.Locationinpatent:Paragraph0112

[29]OrganicLetters,2017,vol.19,#8,p.1994-1997

[30]OrganicLetters,2017,vol.19,#11,p.2877-2880

[31]OrganicandBiomolecularChemistry,2017,vol.15,#38,p.8134-8139

[32]Patent:WO2017/198341,2017,A1,.Locationinpatent:Page/Pagecolumn868

[33]Patent:US2018/44284,2018,A1,.Locationinpatent:Paragraph0169;0170

[34]EuropeanJournalofMedicinalChemistry,2018,vol.157,p.310-319

[35]TetrahedronLetters,2018,vol.59,#33,p.3214-3219

[36]ChemicalCommunications(Cambridge,UnitedKingdom),2018,vol.54,#86,p.12182-12185

Downstream Synthesis Route

[1]Indianjournalofchemistry,1981,vol.20B,p.303-307

709-63-7    583-02-8   
(E)-3-Hydroxy-1,3-bis-(4-trifluoromethyl-phenyl)-propenone 

[1]Arzneimittel-Forschung/DrugResearch,1987,vol.37,p.647-661

[1]JournalofHeterocyclicChemistry,1992,vol.29,p.1753-1756

[1]AngewandteChemie-InternationalEdition,2015,vol.54,p.2729-2733    Angew.Chem.,2015

[2]JournaloftheAmericanChemicalSociety,2015,vol.137,p.5638-5641

[3]Patent:US2018/105504,2018,A1.Locationinpatent:Paragraph1086;1087;1088

[4]OrganicLetters,2018,vol.20,p.8073-8076

[5]OrganicLetters,2018,vol.20,p.5747-5751

[6]JournalofOrganicChemistry,2019,vol.84,p.9758-9769

[7]JournalofOrganicChemistry,2020,vol.85,p.5825-5837

[8]OrganicLetters,2020

[9]JournaloftheAmericanChemicalSociety,1990,vol.112,p.3068-3082

[10]AngewandteChemie-InternationalEdition,2012,vol.51,p.8573-8576

[11]AngewandteChemie-InternationalEdition,2017,vol.56,p.1835-1839    Angew.Chem.,2017,vol.129,p.1861-1865,5

[12]JournaloftheAmericanChemicalSociety,2017,vol.139,p.11702-11705

[13]Chemistry-AEuropeanJournal,2019,vol.25,p.14304-14307

[14]OrganicLetters,2020,vol.22,p.1008-1012

[15]OrganicLetters,2020,vol.22,p.5978-5983

[1]Tetrahedron,2014,vol.70,p.2088-2095

[2]JournaloftheAmericanChemicalSociety,2018

[3]JournalofOrganicChemistry,1988,vol.53,p.1326-1329

[4]JournaloftheAmericanChemicalSociety,1994,vol.116,p.3337-3346

[5]OrganicLetters,2003,vol.5,p.1007-1010

[6]AngewandteChemie-InternationalEdition,2015,vol.54,p.5122-5126    Angew.Chem.,2015,vol.54,p.5211-5215,5

[7]ACSCatalysis,2018,vol.8,p.6476-6485

Literature

Title: Biaryls and heterobiaryls as alpha-glucosidase and protein tyrosine phosphatase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20050301

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