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Home Boronic Acids 850589-44-5
850589-44-5,MFCD07363770
Catalog No.:AA004S6P

850589-44-5 | 3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$97.00   $68.00
- +
1g
98%
in stock  
$103.00   $73.00
- +
5g
98%
in stock  
$469.00   $328.00
- +
10g
98%
in stock  
$926.00   $648.00
- +
25g
98%
in stock  
$2,298.00   $1,609.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004S6P
Chemical Name:
3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid
CAS Number:
850589-44-5
Molecular Formula:
C10H11BClNO3
Molecular Weight:
239.4632
MDL Number:
MFCD07363770
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NC1CC1
Properties
Properties
 
Form:
Solid  
MP:
216-220 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
273  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BAYERAG-WO2012/80234,2012,A1Locationinpatent:Page/Pagecolumn50

[2]CurrentPatentAssignee:BAYERAG-WO2012/80230,2012,A1Locationinpatent:Page/Pagecolumn49-50

[3]CurrentPatentAssignee:BAYERAG-WO2012/80228,2012,A1Locationinpatent:Page/Pagecolumn48

[4]CurrentPatentAssignee:BAYERAG-US2013/281460,2013,A1Locationinpatent:Paragraph0287-0288

[5]CurrentPatentAssignee:BAYERAG-US2013/267527,2013,A1Locationinpatent:Paragraph0262-0263

[1]CurrentPatentAssignee:UNIVERSITYHEALTHNETWORK-WO2014/75168,2014,A1Locationinpatent:Page/Pagecolumn48;72

[2]Laufer,Radoslaw;Li,Sze-Wan;Liu,Yong;Ng,Grace;Lang,Yunhui;Feher,Miklos;Brokx,Richard;Beletskaya,Irina;Hodgson,Richard;Mao,Guodong;Plotnikova,Olga;Awrey,DonaldE.;Mason,JacquelineM.;Wei,Xin;Lin,DanChi-Chia;Che,Yi;Kiarash,Reza;Madeira,Brian;Fletcher,GrahamC.;Mak,TakW.;Bray,MarkR.;Pauls,HenryW.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#15,p.3562-3566]

sodium2'‐(dicyclohexylphosphaneyl)‐2,6‐diisopropyl‐1,1'‐biphenyl‐3‐sulfonate 
  850589-44-5   
2-chloro-4-3-chloro-4-(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-methyl-tetrahydropyran-2-yloxy-phenyl-N-cyclopropyl-benzamide 

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2014/274930,2014,A1Locationinpatent:Page/Pagecolumn

Literature
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SDS
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Tags:850589-44-5 Molecular Formula|850589-44-5 MDL|850589-44-5 SMILES|850589-44-5 3-Chloro-4-(cyclopropylcarbamoyl)phenylboronic acid