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Home Fluorides 694499-30-4
694499-30-4,MFCD25070914
Catalog No.:AA005Z2N

694499-30-4 | 4-(Morpholinomethyl)-3-(trifluoromethyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$88.00   $62.00
- +
250mg
95%
in stock  
$169.00   $118.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005Z2N
Chemical Name:
4-(Morpholinomethyl)-3-(trifluoromethyl)aniline
CAS Number:
694499-30-4
Molecular Formula:
C12H15F3N2O
Molecular Weight:
260.2555
MDL Number:
MFCD25070914
SMILES:
Nc1ccc(c(c1)C(F)(F)F)CN1CCOCC1
Properties
Properties
 
BP:
316.1±42.0 °C(Predicted)  
Storage:
2-8℃;Light sensitive;  

Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Li,Yupeng;Shen,Mengjie;Zhang,Zhang;Luo,Jinfeng;Pan,Xiaofen;Lu,Xiaoyun;Long,Huoyou;Wen,Donghai;Zhang,Fengxiang;Leng,Fang;Li,Yingjun;Tu,Zhengchao;Ren,Xiaomei;Ding,Ke[JournalofMedicinalChemistry,2012,vol.55,#22,p.10033-10046]

[2]Bergeron,Philippe;Koehler,MichaelF.T.;Blackwood,ElizabethM.;Bowman,Krista;Clark,Kevin;Firestein,Ron;Kiefer,JamesR.;Maskos,Klaus;McCleland,MarkL.;Orren,Linda;Ramaswamy,Sreemathy;Salphati,Laurent;Schmidt,Steve;Schneider,ElisabethV.;Wu,Jiansheng;Beresini,Maureen[ACSMedicinalChemistryLetters,2016,vol.7,#6,p.595-600]

[1]Patent:WO2016/37578,2016,A1

[1]ChemMedChem,2016,p.1587-1595

[2]EuropeanJournalofMedicinalChemistry,2017,vol.130,p.86-106

[3]OrganicandBiomolecularChemistry,2017,vol.15,p.3455-3465

[4]JournalofChemicalInformationandModeling,2017,vol.57,p.1439-1452

[5]JournalofMedicinalChemistry,2018,vol.61,p.140-157

694499-30-4    10397-30-5   
C20H20F3N3O4 

[1]Wang,Lu;Zhang,Qing;Zhu,Gaoyuan;Zhang,Zhimin;Zhi,Yanle;Zhang,Li;Mao,Tianxiao;Zhou,Xiang;Chen,Yadong;Lu,Tao;Tang,Weifang[EuropeanJournalofMedicinalChemistry,2017,vol.130,p.86-106]

[2]Wang,Lu;Zhu,Gaoyuan;Zhang,Qing;Duan,Chunqi;Zhang,Yanmin;Zhang,Zhimin;Zhou,Yujun;Lu,Tao;Tang,Weifang[OrganicandBiomolecularChemistry,2017,vol.15,#16,p.3455-3465]

[3]Zhang,Yanmin;Wang,Lu;Zhang,Qing;Zhu,Gaoyuan;Zhang,Zhimin;Zhou,Xiang;Chen,Yadong;Lu,Tao;Tang,Weifang[JournalofChemicalInformationandModeling,2017,vol.57,#6,p.1439-1452]

Literature
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