Home Fluorides 1018678-48-2
1018678-48-2,MFCD16140192
Catalog No.:AA0005PB

1018678-48-2 | 2-Difluoromethyl-benzoic acid methyl ester

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Purity
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1g
97%
in stock  
$120.00   $84.00
- +
5g
97%
in stock  
$411.00   $288.00
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25g
97%
in stock  
$1,150.00   $805.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0005PB
Chemical Name:
2-Difluoromethyl-benzoic acid methyl ester
CAS Number:
1018678-48-2
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD16140192
SMILES:
COC(=O)c1ccccc1C(F)F
Properties
Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route

[1]Verhoog,Stefan;Pfeifer,Lukas;Khotavivattana,Tanatorn;Calderwood,Samuel;Collier,ThomasLee;Wheelhouse,Katherine;Tredwell,Matthew;Gouverneur,Véronique[Synlett,2016,vol.27,#1,p.25-28]

[2]CurrentPatentAssignee:TFCHEM-WO2009/121939,2009,A2Locationinpatent:Page/Pagecolumn60-61

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/59587,2013,A1Locationinpatent:Page/Pagecolumn190

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-EP2768509,2017,B1Locationinpatent:Paragraph0738;0739

[5]CurrentPatentAssignee:PFIZERINC-US2008/85887,2008,A1Locationinpatent:Page/Pagecolumn21

[6]CurrentPatentAssignee:MERCK&COINC;BRUBAKERJASON-WO2016/144848,2016,A1Locationinpatent:Page/Pagecolumn44

[7]CurrentPatentAssignee:MERCK&COINC-WO2016/144846,2016,A1Locationinpatent:Page/Pagecolumn66

[8]CurrentPatentAssignee:MERCK&COINC-WO2016/144849,2016,A1Locationinpatent:Page/Pagecolumn39

[9]CurrentPatentAssignee:MERCK&COINC-WO2016/144847,2016,A1Locationinpatent:Page/Pagecolumn43

[10]Zhang,Xue;Ling,Liang;Luo,Meiming;Zeng,Xiaoming[AngewandteChemie-InternationalEdition,2019,vol.58,#47,p.16785-16789][Angew.Chem.,2019,vol.131,p.16941-16945,5]

[1]Patent:WO2013/59587,2013,A1.Locationinpatent:Page/Pagecolumn190;191

[2]Patent:EP2768509,2017,B1.Locationinpatent:Paragraph0740;0741

[3]Patent:WO2016/144848,2016,A1.Locationinpatent:Page/Pagecolumn45

[4]Patent:WO2016/144846,2016,A1.Locationinpatent:Page/Pagecolumn66

[5]Patent:WO2016/144849,2016,A1.Locationinpatent:Page/Pagecolumn39;40

[6]Patent:WO2016/144847,2016,A1.Locationinpatent:Page/Pagecolumn43

[1]Xu,Peng;Guo,Shuo;Wang,Liyan;Tang,Pingping[AngewandteChemie-InternationalEdition,2014,vol.53,#23,p.5955-5958][Angew.Chem.,2014,vol.126,#23,p.6065-6068,4]

Literature
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SDS
Tags:1018678-48-2 Molecular Formula|1018678-48-2 MDL|1018678-48-2 SMILES|1018678-48-2 2-Difluoromethyl-benzoic acid methyl ester