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Home Amines 78185-92-9
78185-92-9,MFCD00040845
Catalog No.:AA00ICUJ

78185-92-9 | Ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
99%
in stock  
$72.00   $50.00
- +
1g
99%
in stock  
$122.00   $85.00
- +
5g
99%
in stock  
$229.00   $160.00
- +
25g
99%
in stock  
$600.00   $420.00
- +
100g
99%
in stock  
$1,865.00   $1,305.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ICUJ
Chemical Name:
Ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyrate
CAS Number:
78185-92-9
Molecular Formula:
C7H9F6NO2
Molecular Weight:
253.1423
MDL Number:
MFCD00040845
SMILES:
CCOC(=O)C(C(C(F)(F)F)C(F)(F)F)N
Properties
Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.1  

Downstream Synthesis Route

[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]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]

78185-92-9    210532-25-5   
2-(3,5-difluoro-benzenesulfonylamino)-4,4,4-trifluoro-3-trifluoromethyl-butyricacidethylester 

[1]Patent:US2007/249722,2007,A1.Locationinpatent:Page/Pagecolumn14

[1]Patent:US2007/249722,2007,A1.Locationinpatent:Page/Pagecolumn18

Literature
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SDS
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Tags:78185-92-9 Molecular Formula|78185-92-9 MDL|78185-92-9 SMILES|78185-92-9 Ethyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butyrate