Home Fluorides 16063-80-2
16063-80-2,MFCD00014349
Catalog No.:AA003QTH

16063-80-2 | Hexafluoro-dl-valine

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250mg
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1g
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003QTH
Chemical Name:
Hexafluoro-dl-valine
CAS Number:
16063-80-2
Molecular Formula:
C5H5F6NO2
Molecular Weight:
225.0891
MDL Number:
MFCD00014349
SMILES:
OC(=O)C(C(C(F)(F)F)C(F)(F)F)N
NSC Number:
270745
Properties
Properties
 
BP:
165.9°C at 760 mmHg  
Form:
Solid  
MP:
204 °C (dec.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
207  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.9  

Downstream Synthesis Route

[1]Ch'ing-Yuen,Ch.etal.[DokladyChemistry,1960,vol.133,p.933-936][DokladyAkademiiNaukSSSR,1960,vol.133,#5,p.1113-1116]

[1]Arai,Toru;Imachi,Takashi;Kato,Tamaki;Ogawa,H.Iyehara;Fujimoto,Tsutomu;Nishino,Norikazu[BulletinoftheChemicalSocietyofJapan,1996,vol.69,#5,p.1383-1389]

[2]Vine,WilliamH.;Hsieh,Kun-hwa;Marshall,GarlandR.[JournalofMedicinalChemistry,1981,vol.24,#9,p.1043-1047]

[3]Knunyants,I.L.;Cheburkov,Yu.A.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1960,p.2002-2006][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1960,#12,p.2162-2167]

[1]Knunyants,I.L.etal.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1962,p.862-865][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1962,p.924-926]

[1]Knunyants,I.L.etal.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1962,p.862-865][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1962,p.924-926]

[1]Hsieh-h.;Needleman;Marshall[JournalofMedicinalChemistry,1987,vol.30,#6,p.1097-1100]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:16063-80-2 Molecular Formula|16063-80-2 MDL|16063-80-2 SMILES|16063-80-2 Hexafluoro-dl-valine