Home Boronic Acids 850568-49-9
850568-49-9,MFCD04115651
Catalog No.:AA004P7P

850568-49-9 | 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)phenylboronic acid

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Purity
Availability
Price(USD)
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100mg
98%
in stock  
$43.00   $30.00
- +
1g
98%
in stock  
$63.00   $44.00
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5g
98%
in stock  
$228.00   $160.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA004P7P
Chemical Name:
4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)phenylboronic acid
CAS Number:
850568-49-9
Molecular Formula:
C11H13BO4
Molecular Weight:
220.0295
MDL Number:
MFCD04115651
SMILES:
CCOC(=O)/C=C/c1ccc(cc1)B(O)O
Properties
Properties
 
Form:
Solid  
MP:
130-134  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
244  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  

Downstream Synthesis Route

[1]Chang,Meng-Yang;Lin,Chun-Yu;Sun,Pei-Pei[JournaloftheChineseChemicalSociety,2005,vol.52,#5,p.1061-1067]

[1]Chang,Meng-Yang;Lin,Chun-Yu;Sun,Pei-Pei[JournaloftheChineseChemicalSociety,2005,vol.52,#5,p.1061-1067]

[1]Chang,Meng-Yang;Lin,Chun-Yu;Sun,Pei-Pei[JournaloftheChineseChemicalSociety,2005,vol.52,#5,p.1061-1067]

850568-49-9   
ethylN-benzyloxycarbonyl-4-boronophenylalaninate 

[1]Chang,Meng-Yang;Lin,Chun-Yu;Sun,Pei-Pei[JournaloftheChineseChemicalSociety,2005,vol.52,#5,p.1061-1067]

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2012/71535,2012,A1Locationinpatent:Page/Pagecolumn65

[2]Lai,Andiliy;Kahraman,Mehmet;Govek,Steven;Nagasawa,Johnny;Bonnefous,Celine;Julien,Jackie;Douglas,Karensa;Sensintaffar,John;Lu,Nhin;Lee,Kyoung-Jin;Aparicio,Anna;Kaufman,Josh;Qian,Jing;Shao,Gang;Prudente,Rene;Moon,MichaelJ.;Joseph,JamesD.;Darimont,Beatrice;Brigham,Daniel;Grillot,Kate;Heyman,Richard;Rix,PeterJ.;Hager,JeffreyH.;Smith,NicholasD.[JournalofMedicinalChemistry,2015,vol.58,#12,p.4888-4904]

Literature
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SDS
Tags:850568-49-9 Molecular Formula|850568-49-9 MDL|850568-49-9 SMILES|850568-49-9 4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)phenylboronic acid