Home Boronic Acids 850568-44-4
850568-44-4,MFCD04115640
Catalog No.:AA004SF8

850568-44-4 | 4-(2-Methoxycarbonylethyl)phenylboronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$82.00   $57.00
- +
250mg
95%
in stock  
$107.00   $75.00
- +
500mg
95%
in stock  
$178.00   $125.00
- +
1g
97%
in stock  
$230.00   $161.00
- +
5g
97%
in stock  
$954.00   $668.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004SF8
Chemical Name:
4-(2-Methoxycarbonylethyl)phenylboronic acid
CAS Number:
850568-44-4
Molecular Formula:
C10H13BO4
Molecular Weight:
208.0188
MDL Number:
MFCD04115640
SMILES:
COC(=O)CCc1ccc(cc1)B(O)O
Properties
Properties
 
BP:
358.6°C at 760 mmHg  
Form:
Solid  
MP:
90-94 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  

Downstream Synthesis Route
850568-44-4    950201-38-4   
C21H24N2O3 

[1]CurrentPatentAssignee:ADDEXTHERAPEUTICSSA;JOHNSON&JOHNSONINC-WO2007/104783,2007,A2Locationinpatent:Page/Pagecolumn63

850568-44-4    50877-42-4   
C20H20N2O2 

[1]Patent:WO2006/57922,2006,A2.Locationinpatent:Page/Pagecolumn62-63

850568-44-4   
C29H35ClN5O5Pol 
 
C39H46N5O7Pol 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2006/61415,2006,A1Locationinpatent:Page/Pagecolumn93

[1]Rosen,BradM.;Wilson,DanielaA.;Wilson,ChristopherJ.;Peterca,Mihai;Won,BettyC.;Huang,Chenghong;Lipski,LindaR.;Zeng,Xiangbing;Ungar,Goran;Heiney,PaulA.;Percec,Virgil[JournaloftheAmericanChemicalSociety,2009,vol.131,#47,p.17500-17521]

C14H19BNO4(1-)*H(1+) 
  850568-44-4 

[1]Rosen,BradM.;Peterca,Mihai;Huang,Chenghong;Zeng,Xiangbing;Ungar,Goran;Percec,Virgil[AngewandteChemie-InternationalEdition,2010,vol.49,#39,p.7002-7005]

[2]Rosen,BradM.;Wilson,DanielaA.;Wilson,ChristopherJ.;Peterca,Mihai;Won,BettyC.;Huang,Chenghong;Lipski,LindaR.;Zeng,Xiangbing;Ungar,Goran;Heiney,PaulA.;Percec,Virgil[JournaloftheAmericanChemicalSociety,2009,vol.131,#47,p.17500-17521]

Literature
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SDS
Tags:850568-44-4 Molecular Formula|850568-44-4 MDL|850568-44-4 SMILES|850568-44-4 4-(2-Methoxycarbonylethyl)phenylboronic acid