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Home Boronic Acids 408492-29-5
408492-29-5,MFCD11846464
Catalog No.:AA00CKVH

408492-29-5 | 3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester

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Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$21.00   $15.00
- +
250mg
97%
in stock  
$36.00   $25.00
- +
1g
97%
in stock  
$68.00   $48.00
- +
5g
97%
in stock  
$259.00   $181.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CKVH
Chemical Name:
3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
CAS Number:
408492-29-5
Molecular Formula:
C14H18BClO4
Molecular Weight:
296.5543
MDL Number:
MFCD11846464
SMILES:
COC(=O)c1cc(cc(c1)Cl)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
369  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  

Downstream Synthesis Route

[1]AngewandteChemie-InternationalEdition,2002,vol.41,p.3056-3058

[2]Tetrahedron,2008,vol.64,p.4967-4971

[3]AngewandteChemie-InternationalEdition,2002,vol.41,p.3056-3058

[4]ACSCatalysis,2014,vol.4,p.1365-1375

[5]OrganicSyntheses,2005,vol.82,p.126-133

[6]JournalofOrganicChemistry,2020,vol.85,p.3596-3604

[1]ChemicalCommunications,2003,p.2924-2925

[2]ChemicalCommunications,2003,p.2924-2925

[3]JournaloftheAmericanChemicalSociety,2003,vol.125,p.7792-7793

[4]Patent:US2004/30197,2004,A1.Locationinpatent:Page13;17

[5]Tetrahedron,2008,vol.64,p.4967-4971

[6]Synthesis,2011,p.857-859

[7]OrganicSyntheses,2005,vol.82,p.126-133

[1]MaleczkaJr.,RobertE.;Shi,Feng;Holmes,Daniel;SmithIII,MiltonR.[JournaloftheAmericanChemicalSociety,2003,vol.125,#26,p.7792-7793]

[2]Locationinpatent:schemeortableNorberg,A.Monica;SmithIII,MiltonR.;MaleczkaJr.,RobertE.[Synthesis,2011,#6,p.857-859]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2006/27135,2006,A1Locationinpatent:Page/Pagecolumn171

[1]Kikuchi,Takao;Nobuta,Yusuke;Umeda,Junko;Yamamoto,Yasunori;Ishiyama,Tatsuo;Miyaura,Norio[Tetrahedron,2008,vol.64,#22,p.4967-4971]

Literature
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SDS
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Tags:408492-29-5 Molecular Formula|408492-29-5 MDL|408492-29-5 SMILES|408492-29-5 3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester