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31646-53-4,MFCD00181612
Catalog No.:AA00C85O

31646-53-4 | 4-(2-Chloro-5-fluoro-4-pyrimidinyl)morpholine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$123.00   $86.00
- +
5g
95%
in stock  
$489.00   $343.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C85O
Chemical Name:
4-(2-Chloro-5-fluoro-4-pyrimidinyl)morpholine
CAS Number:
31646-53-4
Molecular Formula:
C8H9ClFN3O
Molecular Weight:
217.6280
MDL Number:
MFCD00181612
SMILES:
Fc1cnc(nc1N1CCOCC1)Cl
Properties
Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Kovalenko,A.L.;Krutikov,V.I.;Zolotukhina,M.M.;Alekseeva,L.E.[JournalofgeneralchemistryoftheUSSR,1992,vol.62,#6.2,p.1122-1125][ZhurnalObshcheiKhimii,1992,vol.62,#6,p.1363-1366]

[2]Locationinpatent:schemeortableWada,Hiroki;Cheng,Lili;Jiang,Ji;Jiang,Zhigan;Xie,Jun;Hu,Tao;Sanganee,Hitesh;Luker,Tim[TetrahedronLetters,2012,vol.53,#14,p.1720-1724]

[3]CurrentPatentAssignee:IRONWOODPHARMACEUTICALSINC-WO2013/142269,2013,A1Locationinpatent:Paragraph0666;0667;0668

[4]Mandal,Mihirbaran;Mitra,Kaushik;Grotz,Diane;Lin,Xinjie;Palamanda,Jairam;Kumari,Pramila;Buevich,Alexei;Caldwell,JohnP.;Chen,Xia;Cox,Kathleen;Favreau,Leonard;Hyde,Lynn;Kennedy,MatthewE.;Kuvelkar,Reshma;Liu,Xiaoxiang;Mazzola,RobertD.;Parker,Eric;Rindgen,Diane;Sherer,Edward;Wang,Hongwu;Zhu,Zhaoning;Stamford,AndrewW.;Cumming,JaredN.[JournalofMedicinalChemistry,2018,vol.61,#23,p.10700-10708]

[5]Bogodist,Yu.I.;Protsenko,D.L.[Sovietprogressinchemistry,1970,vol.36,#11,p.50-52][UkrainskiiKhimicheskiiZhurnal(RussianEdition),1970,vol.36,#11,p.1142-1145]

[6]CurrentPatentAssignee:HOUSEY,Gerard,M.-WO2008/91681,2008,A2Locationinpatent:Page/Pagecolumn199

[7]CurrentPatentAssignee:HOUSEYPHARMACEUTICALS;GERARDHOUSEY-US2010/16298,2010,A1Locationinpatent:Page/Pagecolumn168

[8]Wu,Xiaoai;Fang,Zhen;Yang,Bo;Zhong,Lei;Yang,Qiuyuan;Zhang,Chunhui;Huang,Shenzhen;Xiang,Rong;Suzuki,Takayoshi;Li,Lin-Li;Yang,Sheng-Yong[BioorganicandMedicinalChemistryLetters,2016,vol.26,#9,p.2284-2288]

[1]CurrentPatentAssignee:HOUSEY,Gerard,M.-WO2008/91681,2008,A2Locationinpatent:Page/Pagecolumn238

[2]CurrentPatentAssignee:HOUSEYPHARMACEUTICALS;GERARDHOUSEY-US2010/16298,2010,A1Locationinpatent:Page/Pagecolumn201-202

[1]CurrentPatentAssignee:IRONWOODPHARMACEUTICALSINC-WO2013/142269,2013,A1Locationinpatent:Paragraph0669;0670;0671

[2]CurrentPatentAssignee:HOUSEY,Gerard,M.-WO2008/91681,2008,A2Locationinpatent:Page/Pagecolumn246

[1]CurrentPatentAssignee:HOUSEY,Gerard,M.-WO2008/91681,2008,A2Locationinpatent:Page/Pagecolumn199

[2]CurrentPatentAssignee:HOUSEYPHARMACEUTICALS;GERARDHOUSEY-US2010/16298,2010,A1Locationinpatent:Page/Pagecolumn168

[3]Wu,Xiaoai;Fang,Zhen;Yang,Bo;Zhong,Lei;Yang,Qiuyuan;Zhang,Chunhui;Huang,Shenzhen;Xiang,Rong;Suzuki,Takayoshi;Li,Lin-Li;Yang,Sheng-Yong[BioorganicandMedicinalChemistryLetters,2016,vol.26,#9,p.2284-2288]

[1]CurrentPatentAssignee:HOUSEY,Gerard,M.-WO2008/106202,2008,A1Locationinpatent:Page/Pagecolumn79

Literature
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SDS
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