Catalog No.:AA003H9X

326-90-9 | 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione

Name: Name:4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
Brand: AABLOCKS
SKU: AA003H9X
Availability: InStock
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98%

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10g

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25g

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100g

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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:

AA003H9X

Chemical Name:

4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione

CAS Number:

326-90-9

Molecular Formula:

C8H5F3O3

Molecular Weight:

206.1187

MDL Number:

MFCD00014713

SMILES:

O=C(C(F)(F)F)CC(=O)c1ccco1

NSC Number:

9186

Properties

BP:

203°C at N/A mmHg

Form:

Liquid

MP:

19-21°C(lit.)

Refractive Index:

n20/D 1.528(lit.)

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Complexity:

247

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

1.5

Upstream Synthesis Route

1192-62-7

383-63-1

326-90-9

[1]Patent:WO2008/73825,2008,A1,.Locationinpatent:Page/Pagecolumn134

[2]ChineseChemicalLetters,2016,vol.27,#4,p.566-570

[3]Synthesis,1997,#11,p.1321-1324

[4]JournaloftheAmericanChemicalSociety,1950,vol.72,p.2948,2949

[5]JournalofFluorineChemistry,2002,vol.118,#1-2,p.135-147

[6]BioorganicandMedicinalChemistryLetters,2004,vol.14,#2,p.343-346

[7]BioorganicandMedicinalChemistry,2006,vol.14,#15,p.5370-5383

[8]JournalofFluorineChemistry,2006,vol.127,#6,p.780-786

[9]RussianJournalofGeneralChemistry,2007,vol.77,#10,p.1732-1741

[10]ChemistryofHeterocyclicCompounds,2008,vol.44,#5,p.606-614

[11]Khim.Geterotsikl.Soedin.,2008,#5,p.765-775,11

[12]BioorganicandMedicinalChemistryLetters,2014,vol.24,#6,p.1581-1588

[13]AdvancedSynthesisandCatalysis,2015,vol.357,#14-15,p.3076-3080

[14]EuropeanJournalofMedicinalChemistry,2018,vol.155,p.545-551

[15]ChineseChemicalLetters,2018,vol.29,#6,p.911-914

1192-62-7

326-90-9

[1]Patent:WO2010/96115,2010,A1,.Locationinpatent:Page/Pagecolumn55-56

123826-63-1

407-25-0

326-90-9

[1]TetrahedronLetters,2002,vol.43,#48,p.8701-8705

123826-63-1

407-25-0

326-90-9

910136-44-6

[1]TetrahedronLetters,2002,vol.43,#48,p.8701-8705

1192-62-7

407-38-5

326-90-9

[1]AdvancedSynthesisandCatalysis,2017,vol.359,#3,p.402-409

Downstream Synthesis Route

1192-62-7

383-63-1

326-90-9

[1]CurrentPatentAssignee:EXELIXISINC-WO2008/73825,2008,A1Locationinpatent:Page/Pagecolumn134

[2]Dolšak,Ana;Šribar,Dora;Scheffler,Alexander;Grabowski,Maria;Švajger,Urban;Gobec,Stanislav;Holze,Janine;Weindl,Günther;Wolber,Gerhard;Sova,Matej[EuropeanJournalofMedicinalChemistry,2021,vol.225]

[3]Deng,Xi-Le;Xie,Jin;Li,Yong-Qiang;Yuan,De-Kai;Hu,Xue-Ping;Zhang,Li;Wang,Qing-Min;Chi,Ming;Yang,Xin-Ling[ChineseChemicalLetters,2016,vol.27,#4,p.566-570]

[4]Katsuyama;Ogawa;Yamaguchi;Funabiki;Matsui;Muramatsu;Shibata[Synthesis,1997,#11,p.1321-1324]

[5]Reid;Calvin[JournaloftheAmericanChemicalSociety,1950,vol.72,p.2948,2949]

[6]Sloop,JosephC.;Bumgardner,CarlL.;Loehle,W.David[JournalofFluorineChemistry,2002,vol.118,#1-2,p.135-147]

[7]Yue,EddyW.;DiMeo,SusanV.;Higley,C.Anne;Markwalder,JayA.;Burton,CatherineR.;Benfield,PamelaA.;Grafstrom,RobertH.;Cox,Sarah;Muckelbauer,JodiK.;Smallwood,AngelaM.;Chen,Haiying;Chang,Chong-Hwan;Trainor,GeorgeL.;Seitz,StevenP.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#2,p.343-346]

[8]Yonetoku,Yasuhiro;Kubota,Hirokazu;Okamoto,Yoshinori;Ishikawa,Jun;Takeuchi,Makoto;Ohta,Mitsuaki;Tsukamoto,Shin-ichi[BioorganicandMedicinalChemistry,2006,vol.14,#15,p.5370-5383]

[9]Sloop,JosephC.;Bumgardner,CarlL.;Washington,Gary;Loehle,W.David;Sankar,SabapathyS.;Lewis,AdamB.[JournalofFluorineChemistry,2006,vol.127,#6,p.780-786]

[10]Pakal'nis;Zerova;Yakimovich[RussianJournalofGeneralChemistry,2007,vol.77,#10,p.1732-1741]

[11]Pakalnis;Zerova;Yakimovitch;Alekseyev[ChemistryofHeterocyclicCompounds,2008,vol.44,#5,p.606-614][Khim.Geterotsikl.Soedin.,2008,#5,p.765-775,11]

[12]Wang,Ning-Yu;Zuo,Wei-Qiong;Xu,Ying;Gao,Chao;Zeng,Xiu-Xiu;Zhang,Li-Dan;You,Xin-Yu;Peng,Cui-Ting;Shen,Yang;Yang,Sheng-Yong;Wei,Yu-Quan;Yu,Luo-Ting[BioorganicandMedicinalChemistryLetters,2014,vol.24,#6,p.1581-1588]

[13]Xing,Li-Juan;Lu,Tao;Fu,Wei-Li;Lou,Mei-Mei;Chen,Bo;Wang,Zhi-Shen;Jin,Yang;Li,Dan;Wang,Bin[AdvancedSynthesisandCatalysis,2015,vol.357,#14-15,p.3076-3080]

[14]Kumar,Rajiv;Vats,Lalit;Bua,Silvia;Supuran,ClaudiuT.;Sharma,PawanK.[EuropeanJournalofMedicinalChemistry,2018,vol.155,p.545-551]

[15]Li,Wei;Li,Jiuhui;Shen,Hongfeng;Cheng,Jiagao;Li,Zhong;Xu,Xiaoyong[ChineseChemicalLetters,2018,vol.29,#6,p.911-914]

[16]Xiao,Kun-Jie;Zuo,Wei-Qiong;Xu,Ying;Tao,Xin;Yu,Luo-Ting;Wang,Ning-Yu[Pharmazie,2019,vol.74,#6,p.321-325]

326-90-9

53312-81-5

218301-47-4

[1]Patent:WO2015/134998,2015,A1.Locationinpatent:Page/Pagecolumn724;728

[2]JournalofMedicinalChemistry,2005,vol.48,p.1729-1744

326-90-9

111-18-2

C10H24N2*2C8H4F3O3(1-)*2H(1+)

[1]Gupta,OmD.;Twamley,Brendan;Shreeve,Jean'neM.[JournalofFluorineChemistry,2005,vol.126,#8,p.1222-1229]

326-90-9

362640-59-3

[1]Lahm,GeorgeP.;Selby,ThomasP.;Freudenberger,JohnH.;Stevenson,ThomasM.;Myers,BrianJ.;Seburyamo,Gilles;Smith,BenK.;Flexner,Lindsey;Clark,ChristopherE.;Cordova,Daniel[BioorganicandMedicinalChemistryLetters,2005,vol.15,#22,p.4898-4906]

[2]Li,Wei;Li,Jiuhui;Shen,Hongfeng;Cheng,Jiagao;Li,Zhong;Xu,Xiaoyong[ChineseChemicalLetters,2018,vol.29,#6,p.911-914]

326-90-9

437711-25-6

[1]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.4898-4906

[2]Patent:WO2008/73825,2008,A1

Literature

Title: 4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity.

Journal: Bioorganic & medicinal chemistry letters 20100415

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