Home Fluorides 338-03-4
338-03-4,MFCD00039531
Catalog No.:AA003JGQ

338-03-4 | 3-(Trifluoromethyl)-3-hydroxybutyric acid

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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:
AA003JGQ
Chemical Name:
3-(Trifluoromethyl)-3-hydroxybutyric acid
CAS Number:
338-03-4
Molecular Formula:
C5H7F3O3
Molecular Weight:
172.1025
MDL Number:
MFCD00039531
SMILES:
OC(=O)CC(C(F)(F)F)(O)C
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
165  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Walborskyetal.[JournaloftheAmericanChemicalSociety,1955,vol.77,p.3637,3639]

[2]Tarrant;Taylor[JournalofOrganicChemistry,1959,vol.24,p.1888]

[3]McBee,E.T.etal.[JournaloftheAmericanChemicalSociety,1962,vol.84,p.3154-3157]

[1]Knunjanz;Tscheburkow[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1961,p.1057,1060;engl.Ausg.S.977,979]

[2]Tarrant;Taylor[JournalofOrganicChemistry,1959,vol.24,p.1888]

[3]Walborskyetal.[JournaloftheAmericanChemicalSociety,1955,vol.77,p.3637,3639]

[4]Knunyants,I.L.;Cheburkov,Yu.A.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1961,p.977-981][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1961,#6,p.1057-1062]

[1]Knunyants,I.L.;Cheburkov,Yu.A.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1961,p.750-751][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1961,#5,p.811-813]

[1]Knunyants,I.L.;Cheburkov,Yu.A.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1961,p.750-751][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1961,#5,p.811-813]

[1]McBee,E.T.etal.[JournaloftheAmericanChemicalSociety,1962,vol.84,p.3154-3157]

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:338-03-4 Molecular Formula|338-03-4 MDL|338-03-4 SMILES|338-03-4 3-(Trifluoromethyl)-3-hydroxybutyric acid