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294881-08-6,MFCD03424775
Catalog No.:AA00BEE0

294881-08-6 | 3-(2-Bromophenyl)-3-oxo-propionic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$198.00   $139.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BEE0
Chemical Name:
3-(2-Bromophenyl)-3-oxo-propionic acid methyl ester
CAS Number:
294881-08-6
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD03424775
SMILES:
COC(=O)CC(=O)c1ccccc1Br
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Upstream Synthesis Route

[1]Chemistry-AEuropeanJournal,2008,vol.14,#8,p.2527-2535

[2]Tetrahedron,2016,vol.72,#24,p.3454-3467

[1]EuropeanJournalofOrganicChemistry,2011,#20-21,p.3904-3910

[1]TetrahedronLetters,2014,vol.55,#48,p.6534-6537

[2]Synthesis(Germany),2016,vol.48,#9,p.1359-1370

[1]ChemicalCommunications,2013,vol.49,#46,p.5313-5315

[1]EuropeanJournalofOrganicChemistry,2011,#20-21,p.3904-3910

[2]EuropeanJournalofOrganicChemistry,2011,#20-21,p.3904-3910

Downstream Synthesis Route
294881-08-6   
2-(7-bromohept-2-enyloxy)tetrahydropyran 
 
2-(2-bromobenzoyl)-9-(tetrahydropyran-2-yloxy)non-7-enoicacidmethylester 

[1]Chemistry-AEuropeanJournal,2008,vol.14,p.2527-2535

[1]Chemistry-AEuropeanJournal,2008,vol.14,p.2527-2535

[2]Tetrahedron,2018,vol.74,p.5069-5084

[3]Tetrahedron,2016,vol.72,p.3454-3467

[1]ChemicalCommunications,2010,vol.46,p.7617-7619

[1]ChemicalCommunications,2010,vol.46,p.7617-7619

[1]ChemicalCommunications,2010,vol.46,p.7617-7619

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:294881-08-6 Molecular Formula|294881-08-6 MDL|294881-08-6 SMILES|294881-08-6 3-(2-Bromophenyl)-3-oxo-propionic acid methyl ester
Catalog No.: AA00BEE0
294881-08-6,MFCD03424775
294881-08-6 | 3-(2-Bromophenyl)-3-oxo-propionic acid methyl ester
Pack Size： 250mg
Purity： 95%
in stock
$198.00 $139.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BEE0
Chemical Name: 3-(2-Bromophenyl)-3-oxo-propionic acid methyl ester
CAS Number: 294881-08-6
Molecular Formula: C10H9BrO3
Molecular Weight: 257.0807
MDL Number: MFCD03424775
SMILES: COC(=O)CC(=O)c1ccccc1Br
Properties
Complexity: 227  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Upstream Synthesis Route
79-20-9    610-94-6    294881-08-6 

[1]Chemistry-AEuropeanJournal,2008,vol.14,#8,p.2527-2535

[2]Tetrahedron,2016,vol.72,#24,p.3454-3467

1323309-33-6    294881-08-6 

[1]EuropeanJournalofOrganicChemistry,2011,#20-21,p.3904-3910

2142-69-0    616-38-6    294881-08-6 

[1]TetrahedronLetters,2014,vol.55,#48,p.6534-6537

[2]Synthesis(Germany),2016,vol.48,#9,p.1359-1370

38330-80-2    7154-66-7    294881-08-6 

[1]ChemicalCommunications,2013,vol.49,#46,p.5313-5315

6630-33-7    294881-08-6 

[1]EuropeanJournalofOrganicChemistry,2011,#20-21,p.3904-3910

[2]EuropeanJournalofOrganicChemistry,2011,#20-21,p.3904-3910

Downstream Synthesis Route
294881-08-6   
2-(7-bromohept-2-enyloxy)tetrahydropyran 
 
2-(2-bromobenzoyl)-9-(tetrahydropyran-2-yloxy)non-7-enoicacidmethylester 

[1]Chemistry-AEuropeanJournal,2008,vol.14,p.2527-2535

79-20-9    610-94-6    294881-08-6 

[1]Chemistry-AEuropeanJournal,2008,vol.14,p.2527-2535

[2]Tetrahedron,2018,vol.74,p.5069-5084

[3]Tetrahedron,2016,vol.72,p.3454-3467

1694-31-1    294881-08-6    1257230-34-4 

[1]ChemicalCommunications,2010,vol.46,p.7617-7619

5459-58-5    294881-08-6    1257230-40-2 

[1]ChemicalCommunications,2010,vol.46,p.7617-7619

294881-08-6    5396-89-4    1257230-35-5 

[1]ChemicalCommunications,2010,vol.46,p.7617-7619

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