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689251-97-6,MFCD02090857
Catalog No.:AA005N2V

689251-97-6 | (2E)-3-(1-Methyl-1h-pyrazol-4-yl)acrylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$123.00   $86.00
- +
5g
98%
in stock  
$353.00   $247.00
- +
10g
98%
in stock  
$544.00   $381.00
- +
25g
98%
in stock  
$1,075.00   $753.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005N2V
Chemical Name:
(2E)-3-(1-Methyl-1h-pyrazol-4-yl)acrylic acid
CAS Number:
689251-97-6
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD02090857
SMILES:
OC(=O)/C=C/c1cnn(c1)C
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2009/76020,2009,A1Locationinpatent:Page/Pagecolumn48-49

[1]Nosik,PavelS.;Ryabukhin,SergeyV.;Artamonov,OleksiyS.;Grygorenko,OleksandrO.[MonatsheftefurChemie,2016,vol.147,#9,p.1629-1636]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/76435,2012,A1Locationinpatent:Page/Pagecolumn29

[3]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-EP2725024,2014,A1Locationinpatent:Paragraph0142

[4]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-US2014/171431,2014,A1Locationinpatent:Paragraph0486;0488

[5]Nosik,PavelS.;Ryabukhin,SergeyV.;Pashko,MykolaO.;Grabchuk,GalynaP.;Grygorenko,OleksandrO.;Volochnyuk,DmitriyM.[JournalofFluorineChemistry,2019,vol.217,p.80-89]

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/76435,2012,A1Locationinpatent:Page/Pagecolumn29

[1]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-EP2725024,2014,A1

[2]CurrentPatentAssignee:CHINESEACADEMYOFSCIENCES;ShanghaiInstituteofMateriaMedica(in:CAS)-US2014/171431,2014,A1

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/76435,2012,A1

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/76435,2012,A1

Literature
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SDS
Tags:689251-97-6 Molecular Formula|689251-97-6 MDL|689251-97-6 SMILES|689251-97-6 (2E)-3-(1-Methyl-1h-pyrazol-4-yl)acrylic acid