Catalog No.:AA002CLH

2003-10-3 | 3-(Trifluoromethyl)phenacyl bromide

Name: Name:3-(Trifluoromethyl)phenacyl bromide
Brand: AABLOCKS
SKU: AA002CLH
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Rating: 90 (10 reviews)

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98%

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10g

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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature
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Technical Information
Properties
Upstream Synthesis Route
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA002CLH

Chemical Name:

3-(Trifluoromethyl)phenacyl bromide

CAS Number:

2003-10-3

Molecular Formula:

C9H6BrF3O

Molecular Weight:

267.0425

MDL Number:

MFCD03094283

SMILES:

BrCC(=O)c1cccc(c1)C(F)(F)F

Properties

BP:

232.4°C at 760 mmHg

Form:

Liquid

MP:

22 °C

Storage:

Inert atmosphere;2-8℃;

Computed Properties

Complexity:

215

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

3.3

Upstream Synthesis Route

349-76-8

2003-10-3

[1]JournalofMedicinalChemistry,1995,vol.38,#1,p.34-41

[2]JournalofOrganicChemistry,1980,vol.45,#24,p.4989-4990

[3]JournalfuerPraktischeChemie/Chemiker-Zeitung,1998,vol.340,#7,p.649-655

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

[5]Patent:EP1571148,2005,A1,.Locationinpatent:Page/Pagecolumn28

[6]Patent:WO2005/121105,2005,A1,.Locationinpatent:Page/Pagecolumn16

[7]Patent:WO2008/140947,2008,A1,.Locationinpatent:Page/Pagecolumn56

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

[9]ACSMedicinalChemistryLetters,2016,vol.7,#7,p.686-691

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

[11]JournalofHeterocyclicChemistry,1981,vol.18,p.451-453

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

[13]Chemical&PharmaceuticalBulletin,1995,vol.43,#9,p.1497-1504

[14]JournaloftheChemicalSociety-PerkinTransactions1,1999,#17,p.2421-2423

[15]Arzneimittel-Forschung/DrugResearch,2001,vol.51,#7,p.569-573

[16]Patent:US4968707,1990,A,

[17]BioorganicandMedicinalChemistry,2008,vol.16,#17,p.8187-8195

[18]Patent:US2004/6058,2004,A1,.Locationinpatent:Page/Pagecolumn92

[19]BioorganicandMedicinalChemistryLetters,2010,vol.20,#4,p.1432-1435

[20]BioorganicandMedicinalChemistryLetters,2011,vol.21,#1,p.182-185

[21]Patent:WO2012/6473,2012,A1,.Locationinpatent:Page/Pagecolumn55-56

[22]Patent:WO2012/100734,2012,A1,.Locationinpatent:Page/Pagecolumn26

[23]AntimicrobialAgentsandChemotherapy,2014,vol.58,#7,p.4242-4245

[24]JournalofMedicinalChemistry,2014,vol.57,#12,p.5226-5237

[25]EuropeanJournalofMedicinalChemistry,2015,vol.99,p.14-35

[26]ChemicalBiologyandDrugDesign,2015,vol.86,#4,p.849-856

[27]BioorganicandMedicinalChemistryLetters,2016,vol.26,#15,p.3669-3674

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

[29]Patent:CN107266413,2017,A,.Locationinpatent:Paragraph0137;0139;0140;0141

[30]AdvancedSynthesisandCatalysis,2018,vol.360,#8,p.1628-1633

[31]Patent:WO2009/146358,2009,A1,.Locationinpatent:Page/Pagecolumn68

349-76-8

922734-42-7

2003-10-3

[1]OrganicProcessResearchandDevelopment,2012,vol.16,#5,p.982-1002

402-24-4

2003-10-3

[1]OrganicandBiomolecularChemistry,2017,vol.15,#46,p.9889-9894

108773-81-5

67-64-1

2003-10-3

[1]JournalofOrganicChemistry,1987,vol.52,#14,p.3143-3150

2003-10-3

1801-10-1

[1]OrganicandBiomolecularChemistry,2017,vol.15,#46,p.9889-9894

Downstream Synthesis Route

349-76-8

2003-10-3

[1]JournalofMedicinalChemistry,1995,vol.38,p.34-41

[2]JournalofOrganicChemistry,1980,vol.45,p.4989-4990

[3]JournalfurPraktischeChemie-Chemiker-Zeitung,1998,vol.340,p.649-655

[4]JournalofMedicinalChemistry,2014,vol.57,p.6572-6582

[5]Patent:EP1571148,2005,A1.Locationinpatent:Page/Pagecolumn28

[6]Patent:WO2005/121105,2005,A1.Locationinpatent:Page/Pagecolumn16

[7]Patent:WO2008/140947,2008,A1.Locationinpatent:Page/Pagecolumn56

[8]Tetrahedron,2008,vol.64,p.5191-5199

[9]ACSMedicinalChemistryLetters,2016,vol.7,p.686-691

[10]Journalofmedicinalchemistry,1972,vol.15,p.989-994

[11]JournalofHeterocyclicChemistry,1981,vol.18,p.451-453

[12]Chemicalandpharmaceuticalbulletin,1995,vol.43,p.1497-1504

[13]JournaloftheChemicalSociety.PerkintransactionsI,1999,p.2421-2423

[14]Arzneimittel-Forschung/DrugResearch,2001,vol.51,p.569-573

[15]Patent:US4968707,1990,A

[16]BioorganicandMedicinalChemistry,2008,vol.16,p.8187-8195

[17]Patent:US2004/6058,2004,A1.Locationinpatent:Page/Pagecolumn92

[18]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.1432-1435

[19]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.182-185

[20]Patent:WO2012/6473,2012,A1.Locationinpatent:Page/Pagecolumn55-56

[21]Patent:WO2012/100734,2012,A1.Locationinpatent:Page/Pagecolumn26

[22]AntimicrobialAgentsandChemotherapy,2014,vol.58,p.4242-4245

[23]JournalofMedicinalChemistry,2014,vol.57,p.5226-5237

[24]EuropeanJournalofMedicinalChemistry,2015,vol.99,p.14-35

[25]ChemicalBiologyandDrugDesign,2015,vol.86,p.849-856

[26]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.3669-3674

[27]OrganicLetters,2017,vol.19,p.1994-1997

[28]Patent:CN107266413,2017,A.Locationinpatent:Paragraph0137;0139;0140;0141

[29]AdvancedSynthesisandCatalysis,2018,vol.360,p.1628-1633

[30]Patent:WO2009/146358,2009,A1.Locationinpatent:Page/Pagecolumn68

[31]JournalofNaturalProducts,2019

[32]Molecules,2020,vol.25

1125-99-1

2003-10-3

54669-74-8

[1]Anderson,V.B.etal.[JournalofMedicinalChemistry,1976,vol.19,p.318-325]

[2]CurrentPatentAssignee:SANOFI-US3997557,1976,A

[3]CurrentPatentAssignee:SANOFI-US3931407,1976,A

17356-08-0

2003-10-3

172848-41-8

[1]Hu,XiaoLong;Long,Huan;Shi,Wei;Wang,Hao;Wang,Quan[BioorganicandMedicinalChemistryLetters,2022,vol.69]

[2]Hu,XiaoLong;Long,Huan;Shi,Wei;Wang,Hao;Wang,Quan[BioorganicandMedicinalChemistryLetters,2022,vol.69]

[3]Okhubo,Mitsuru;Kuno,Atsushi;Nakanishi,Isao;Takasugi,Hisashi[Chemicalandpharmaceuticalbulletin,1995,vol.43,#9,p.1497-1504]

[4]Habermann,Joerg;Levy,StevenV.;Scicinski,JanJ.;Scott,JamesS.;Smits,Rene;Thomas,AndrewW.[JournaloftheChemicalSociety.PerkintransactionsI,1999,#17,p.2425-2428]

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/100734,2012,A1Locationinpatent:Page/Pagecolumn26

[6]Ran,Kai;Gao,Chao;Deng,Hongxia;Lei,Qian;You,Xinyu;Wang,Ningyu;Shi,Yaojie;Liu,Zhihao;Wei,Wei;Peng,Cuiting;Xiong,Lu;Xiao,Kunjie;Yu,Luoting[BioorganicandMedicinalChemistryLetters,2016,vol.26,#15,p.3669-3674]

41663-73-4

2003-10-3

2-chloro-6-(3-trifluoromethyl-phenyl)-imidazo2,1-<i>b</i>thiazole

[1]Andreani,Aldo;Granaiola,Massimiliano;Leoni,Alberto;Locatelli,Alessandra;Morigi,Rita;Rambaldi,Mirella[EuropeanJournalofMedicinalChemistry,2001,vol.36,#9,p.743-746]

614-16-4

2003-10-3

2-amino-5-bromo-4-(3-(trifluoromethyl)phenyl)thiophen-3-ylphenyl-methanone

[1]Lütjens,Henning;Zickgraf,Andrea;Figler,Heidi;Linden,Joel;Olsson,RayA.;Scammells,PeterJ.[JournalofMedicinalChemistry,2003,vol.46,#10,p.1870-1877]

Literature

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