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1776-09-6,MFCD11109091
Catalog No.:AA0025CC

1776-09-6 | 3-Bromochroman-4-one

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100mg
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$123.00   $86.00
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250mg
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0025CC
Chemical Name:
3-Bromochroman-4-one
CAS Number:
1776-09-6
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD11109091
SMILES:
BrC1COc2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Kempter,G.etal.[ZeitschriftfurChemie,1970,vol.10,p.460-462]

[1]Locationinpatent:experimentalpartTandon,VishnuK.;Awasthi,AnoopK.;Singh,KunwarA.;Maurya,HardeshK.;Gautam,SanjayK.[Heterocycles,2010,vol.80,#1,p.593-600]

[2]Zhang,Xiwu;Cai,Xinxian;Huang,Bin;Guo,Lei;Gao,Zhongrun;Jia,Yanxing[AngewandteChemie-InternationalEdition,2019,vol.58,#38,p.13380-13384][Angew.Chem.,2019,vol.131,#38,p.13514-13518,5]

[3]Mal,Kanchan;Kaur,Amanpreet;Haque,Fazle;Das,Indrajit[JournalofOrganicChemistry,2015,vol.80,#12,p.6400-6410]

[4]Patonay,Tamas;Juhasz-Toth,Eva;Benyei,Attila[EuropeanJournalofOrganicChemistry,2002,#2,p.285-295]

[5]Locationinpatent:experimentalpartEmami,Saeed;Foroumadi,Alireza;Samadi,Nasrin;Faramarzi,MohammadA.;Rajabalian,Saeed[ArchivderPharmazie,2009,vol.342,#7,p.405-411]

[6]Ankner,Tobias;Friden-Saxin,Maria;Pemberton,Nils;Seifert,Tina;Grotli,Morten;Luthman,Kristina;Hilmersson,Goeran[OrganicLetters,2010,vol.12,#10,p.2210-2213]

[7]Ozaki,Yutaka;Mochida,Keiko;Kim,Sang-Won[Chemicalandpharmaceuticalbulletin,1987,vol.35,#5,p.1790-1795]

[8]Fitzgerald,DeirdreH.;Muirhead,KarenM.;Botting,NigelP.[BioorganicandMedicinalChemistry,2001,vol.9,#4,p.983-989]

[9]Cheng,Yuan;Zhang,Fengqi;Rano,ThomasA;Lu,Zhijian;Schleif,WilliamA;Gabryelski,Lori;Olsen,DavidB;Stahlhut,Mark;Rutkowski,CarrieA;Lin,JiunnH;Jin,Lixia;Emini,EmilioA;Chapman,KevinT;Tata,JamesR[BioorganicandMedicinalChemistryLetters,2002,vol.12,#17,p.2419-2422]

[10]CurrentPatentAssignee:MERCK&COINC-US6642237,2003,B1Locationinpatent:Page/Pagecolumn82

[11]Kesteleyn,Bart;Amssoms,Katie;Schepens,Wim;Hache,Geerwin;Verschueren,Wim;VanDeVreken,Wim;Rombauts,Klara;Meurs,Greet;Sterkens,Patrick;Stoops,Bart;Baert,Lieven;Austin,Nigel;Wegner,Jörg;Masungi,Chantal;Dierynck,Inge;Lundgren,Stina;Jönsson,Daniel;Parkes,Kevin;Kalayanov,Genadiy;Wallberg,Hans;Rosenquist,Åsa;Samuelsson,Bertil;VanEmelen,Kristof;Thuring,JanWillem[BioorganicandMedicinalChemistryLetters,2013,vol.23,#1,p.310-317]

[12]Babazadeh-Qazijahani,Mojtaba;Badali,Hamid;Irannejad,Hamid;Afsarian,MohammadHosein;Emami,Saeed[EuropeanJournalofMedicinalChemistry,2014,vol.76,p.264-273]

[13]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2018/92921,2018,A1Locationinpatent:Paragraph00178-00181

[14]An,Sejin;Moon,DaYoon;Park,BongSer[Tetrahedron,2018,vol.74,#48,p.6922-6928]

[15]Pan,Jianke;Wu,Jia-Hong;Zhang,Hongkui;Ren,Xiaoyu;Tan,Jian-Ping;Zhu,Lixiang;Zhang,Hong-Su;Jiang,Chunhui;Wang,Tianli[AngewandteChemie-InternationalEdition,2019,vol.58,#22,p.7425-7430][Angew.Chem.,2019,vol.131,p.7503-7508,6]

[16]Moon,DaYoon;An,Sejin;Park,BongSer[Tetrahedron,2019,vol.75,#47]

[17]CurrentPatentAssignee:ZhuCuiping-CN111518117,2020,ALocationinpatent:Paragraph0033-0035

[1]Tetrahedron,1993,vol.49,p.7967-7976

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.310-317

[2]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.310-317

Literature
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Tags:1776-09-6 Molecular Formula|1776-09-6 MDL|1776-09-6 SMILES|1776-09-6 3-Bromochroman-4-one