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1036991-19-1,MFCD06657878
Catalog No.:AA003SHK

1036991-19-1 | 3-(N,N-Dimethylamino)methylphenylboronic acid, pinacol ester, HCl

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$107.00   $75.00
- +
5g
96%
in stock  
$393.00 $275.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003SHK
Chemical Name:
3-(N,N-Dimethylamino)methylphenylboronic acid, pinacol ester, HCl
CAS Number:
1036991-19-1
Molecular Formula:
C15H25BClNO2
Molecular Weight:
297.6285
MDL Number:
MFCD06657878
SMILES:
CN(Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C.Cl
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
301  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/140324,2011,A1Locationinpatent:Page/Pagecolumn85-86

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2014/256739,2014,A1Locationinpatent:Paragraph0570

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/140324,2011,A1Locationinpatent:Page/Pagecolumn86-87

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2014/256739,2014,A1Locationinpatent:Paragraph0572

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/140324,2011,A1Locationinpatent:Page/Pagecolumn87

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2014/256739,2014,A1Locationinpatent:Paragraph0574

[1]Innocenti,Paolo;Cheung,Kwai-MingJ.;Solanki,Savade;Mas-Droux,Corine;Rowan,Fiona;Yeoh,Sharon;Boxall,Kathy;Westlake,Maura;Pickard,Lisa;Hardy,Tara;Baxter,JoanneE.;Aherne,G.Wynne;Bayliss,Richard;Fry,AndrewM.;Hoelder,Swen[JournalofMedicinalChemistry,2012,vol.55,#7,p.3228-3241]

[1]Innocenti,Paolo;Cheung,Kwai-MingJ.;Solanki,Savade;Mas-Droux,Corine;Rowan,Fiona;Yeoh,Sharon;Boxall,Kathy;Westlake,Maura;Pickard,Lisa;Hardy,Tara;Baxter,JoanneE.;Aherne,G.Wynne;Bayliss,Richard;Fry,AndrewM.;Hoelder,Swen[JournalofMedicinalChemistry,2012,vol.55,#7,p.3228-3241]

Literature
Quotation Request
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SDS
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Tags:1036991-19-1 Molecular Formula|1036991-19-1 MDL|1036991-19-1 SMILES|1036991-19-1 3-(N,N-Dimethylamino)methylphenylboronic acid, pinacol ester, HCl
Catalog No.: AA003SHK
1036991-19-1,MFCD06657878
1036991-19-1 | 3-(N,N-Dimethylamino)methylphenylboronic acid, pinacol ester, HCl
Pack Size： 1g
Purity： 96%
in stock
$107.00 $75.00
Pack Size： 5g
Purity： 96%
in stock
$393.00 $275.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003SHK
Chemical Name: 3-(N,N-Dimethylamino)methylphenylboronic acid, pinacol ester, HCl
CAS Number: 1036991-19-1
Molecular Formula: C15H25BClNO2
Molecular Weight: 297.6285
MDL Number: MFCD06657878
SMILES: CN(Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C.Cl
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 301  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
1036991-19-1    1346574-53-5    1346574-59-1 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/140324,2011,A1Locationinpatent:Page/Pagecolumn85-86

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2014/256739,2014,A1Locationinpatent:Paragraph0570

1036991-19-1    1346574-54-6    1346574-60-4 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/140324,2011,A1Locationinpatent:Page/Pagecolumn86-87

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2014/256739,2014,A1Locationinpatent:Paragraph0572

1036991-19-1    1346574-55-7    1346574-61-5 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2011/140324,2011,A1Locationinpatent:Page/Pagecolumn87

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2014/256739,2014,A1Locationinpatent:Paragraph0574

1036991-19-1    1364267-41-3    1364267-66-2 

[1]Innocenti,Paolo;Cheung,Kwai-MingJ.;Solanki,Savade;Mas-Droux,Corine;Rowan,Fiona;Yeoh,Sharon;Boxall,Kathy;Westlake,Maura;Pickard,Lisa;Hardy,Tara;Baxter,JoanneE.;Aherne,G.Wynne;Bayliss,Richard;Fry,AndrewM.;Hoelder,Swen[JournalofMedicinalChemistry,2012,vol.55,#7,p.3228-3241]

1036991-19-1    1364266-97-6    1364267-08-2 

[1]Innocenti,Paolo;Cheung,Kwai-MingJ.;Solanki,Savade;Mas-Droux,Corine;Rowan,Fiona;Yeoh,Sharon;Boxall,Kathy;Westlake,Maura;Pickard,Lisa;Hardy,Tara;Baxter,JoanneE.;Aherne,G.Wynne;Bayliss,Richard;Fry,AndrewM.;Hoelder,Swen[JournalofMedicinalChemistry,2012,vol.55,#7,p.3228-3241]

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