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33166-77-7,MFCD03424809
Catalog No.:AA003Q31

33166-77-7 | 3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$15.00   $11.00
- +
250mg
97%
in stock  
$22.00   $15.00
- +
1g
96%
in stock  
$50.00   $35.00
- +
5g
97%
in stock  
$97.00   $68.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q31
Chemical Name:
3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester
CAS Number:
33166-77-7
Molecular Formula:
C11H11FO3
Molecular Weight:
210.2016
MDL Number:
MFCD03424809
SMILES:
CCOC(=O)CC(=O)c1cccc(c1)F
Properties
Properties
 
BP:
275.1 °C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.5172(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
240  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Synonyms
 
  
Upstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2013,vol.21,#17,p.5064-5075

[2]Patent:WO2014/179401,2014,A1,.Locationinpatent:Page/Pagecolumn9;14;15

[3]JournalofMedicinalChemistry,1997,vol.40,#19,p.3049-3056

[4]EuropeanJournalofOrganicChemistry,2015,vol.2015,#17,p.3656-3660

[5]ChemicalCommunications,2017,vol.53,#58,p.8136-8139

[6]OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4683-4687

[1]Patent:US2008/188521,2008,A1,.Locationinpatent:Page/Pagecolumn19-20

[2]OrganicProcessResearchandDevelopment,2012,vol.16,#2,p.214-219

[1]RSCAdvances,2018,vol.8,#27,p.15009-15020

[1]OrganicProcessResearchandDevelopment,2010,vol.14,#3,p.592-599

[1]Patent:US2012/277224,2012,A1,.Locationinpatent:Page/Pagecolumn28

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1985,vol.28,p.1864-1869

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.807-813

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.807-813

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.2991-3013

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.2991-3013

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:33166-77-7 Molecular Formula|33166-77-7 MDL|33166-77-7 SMILES|33166-77-7 3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester
Catalog No.: AA003Q31
33166-77-7,MFCD03424809
33166-77-7 | 3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester
Pack Size： 100mg
Purity： 97%
in stock
$15.00 $11.00
Pack Size： 250mg
Purity： 97%
in stock
$22.00 $15.00
Pack Size： 1g
Purity： 96%
in stock
$50.00 $35.00
Pack Size： 5g
Purity： 97%
in stock
$97.00 $68.00
Quantity
- +
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Technical Information
Catalog Number: AA003Q31
Chemical Name: 3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester
CAS Number: 33166-77-7
Molecular Formula: C11H11FO3
Molecular Weight: 210.2016
MDL Number: MFCD03424809
SMILES: CCOC(=O)CC(=O)c1cccc(c1)F
Properties
BP: 275.1 °C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.5172(lit.)  
Storage: Room Temperature;  
Complexity: 240  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
65:   
Upstream Synthesis Route
455-36-7    105-58-8    33166-77-7 

[1]BioorganicandMedicinalChemistry,2013,vol.21,#17,p.5064-5075

[2]Patent:WO2014/179401,2014,A1,.Locationinpatent:Page/Pagecolumn9;14;15

[3]JournalofMedicinalChemistry,1997,vol.40,#19,p.3049-3056

[4]EuropeanJournalofOrganicChemistry,2015,vol.2015,#17,p.3656-3660

[5]ChemicalCommunications,2017,vol.53,#58,p.8136-8139

[6]OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4683-4687

6148-64-7    776-71-6    33166-77-7 

[1]Patent:US2008/188521,2008,A1,.Locationinpatent:Page/Pagecolumn19-20

[2]OrganicProcessResearchandDevelopment,2012,vol.16,#2,p.214-219

455-38-9    6148-64-7    33166-77-7 

[1]RSCAdvances,2018,vol.8,#27,p.15009-15020

451-02-5    141-78-6    33166-77-7 

[1]OrganicProcessResearchandDevelopment,2010,vol.14,#3,p.592-599

64-17-5    223679-80-9    33166-77-7 

[1]Patent:US2012/277224,2012,A1,.Locationinpatent:Page/Pagecolumn28

Downstream Synthesis Route
33166-77-7    113-00-8    98305-63-6 

[1]JournalofMedicinalChemistry,1985,vol.28,p.1864-1869

33166-77-7    2243-57-4    936947-12-5 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.807-813

33166-77-7    936947-78-3 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.807-813

33166-77-7    635325-75-6 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.2991-3013

33166-77-7    635324-64-0 

[1]BioorganicandMedicinalChemistry,2003,vol.11,p.2991-3013

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