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Home Fluorides 1533-03-5
1533-03-5,MFCD00039227
Catalog No.:AA003S3T

1533-03-5 | 3'-(Trifluoromethyl)propiophenone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$9.00   $7.00
- +
25g
95%
in stock  
$34.00   $24.00
- +
100g
98%
in stock  
$132.00   $93.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003S3T
Chemical Name:
3'-(Trifluoromethyl)propiophenone
CAS Number:
1533-03-5
Molecular Formula:
C10H9F3O
Molecular Weight:
202.1731
MDL Number:
MFCD00039227
SMILES:
CCC(=O)c1cccc(c1)C(F)(F)F
Properties
Properties
 
BP:
203°C at 760 mmHg  
Form:
Liquid  
MP:
18 °C  
Refractive Index:
n20/D 1.4620(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
210  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
3.5  

Upstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,1995,vol.30,#1,p.85-94

[2]OrganicLetters,2010,vol.12,#10,p.2214-2217

[3]GreenChemistry,2017,vol.19,#2,p.474-480

[1]OrganicandBiomolecularChemistry,2015,vol.13,#48,p.11651-11656

[1]Patent:US6211413,2001,B1,

[1]BioorganicandMedicinalChemistryLetters,1997,vol.7,#1,p.1-6

[1]JustusLiebigsAnnalenderChemie,1968,vol.717,p.80-90

Downstream Synthesis Route

[1]Shiozawa;Narita;Izumi;Kurashige;Sakitama;Ishikawa[EuropeanJournalofMedicinalChemistry,1995,vol.30,#1,p.85-94]

[2]Chang,Lu;Kuang,Yulong;Qin,Bo;Zhou,Xin;Liu,Xiaohua;Lin,Lili;Feng,Xiaoming[OrganicLetters,2010,vol.12,#10,p.2214-2217]

[3]Martínez-Montero,Lía;Gotor,Vicente;Gotor-Fernández,Vicente;Lavandera,Iván[GreenChemistry,2017,vol.19,#2,p.474-480]

50-00-0    1533-03-5    506-59-2   
3-dimethylamino-2-methyl-1-(3-trifluoromethyl-phenyl)-propan-1-one;hydrochloride 

[1]Du,Xiaohui;Guo,Chun;Hansell,Elizabeth;Doyle,PatriciaS.;Caffrey,ConorR.;Holler,TodP.;McKerrow,JamesH.;Cohen,FredE.[JournalofMedicinalChemistry,2002,vol.45,#13,p.2695-2707]

[1]Du,Xiaohui;Guo,Chun;Hansell,Elizabeth;Doyle,PatriciaS.;Caffrey,ConorR.;Holler,TodP.;McKerrow,JamesH.;Cohen,FredE.[JournalofMedicinalChemistry,2002,vol.45,#13,p.2695-2707]

[1]CurrentPatentAssignee:PFIZERINC-US4178449,1979,A

[1]Meza-Toledo,SergioEnrique;Lira-Zarate,Fabiola;Robles-Martinez,ElsaLizbeth;Peralta-Alvarez,Belen;Cabrera-Cedillo,Fabiola;Peralta-Cruz,Javier;Cruz-Peinado,Claudia;Minon-Lopez,Humberto[Arzneimittel-Forschung/DrugResearch,2008,vol.58,#4,p.155-159]

Literature
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SDS
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