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27489-33-4,MFCD00127516
Catalog No.:AA00BE97

27489-33-4 | 2-(Methylsulfonyl)phenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$34.00   $24.00
- +
1g
98%
in stock  
$87.00   $61.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
25g
98%
in stock  
$1,158.00   $811.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BE97
Chemical Name:
2-(Methylsulfonyl)phenol
CAS Number:
27489-33-4
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD00127516
SMILES:
Oc1ccccc1S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Bosset,Cyril;Lefebvre,Gauthier;Angibaud,Patrick;Stansfield,Ian;Meerpoel,Lieven;Berthelot,Didier;Guérinot,Amandine;Cossy,Janine[JournalofOrganicChemistry,2017,vol.82,#8,p.4020-4036]

[2]CurrentPatentAssignee:ABBOTTLABORATORIESINC-WO2005/23762,2005,A1Locationinpatent:Page/Pagecolumn122

[3]CurrentPatentAssignee:ABBVIEINC-US2005/131019,2005,A1Locationinpatent:Page/Pagecolumn54

[4]Kalgutkar,AmitS.;Kozak,KevinR.;Crews,BrendaC.;HochgesangJr.,G.Phillip;Marnett,LawrenceJ.[JournalofMedicinalChemistry,1998,vol.41,#24,p.4800-4818]

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2005/30746,2005,A1Locationinpatent:Page/Pagecolumn7;15

[6]Shaw,K.B.;Miller,R.K.[CanadianJournalofChemistry,1970,vol.48,p.1394-1403]

[7]Pedersen,A.O.etal.[Tetrahedron,1970,vol.26,p.4449-4471]

[8]CurrentPatentAssignee:NANJINGGEARPHARMATECH;SINOBIOPHARMACEUTICALLIMITED-EP3689860,2020,A1Locationinpatent:Paragraph0430;0431

[1]JournaloftheChemicalSociety.PerkintransactionsI,1978,p.539-543

[1]Patent:WO2005/30746,2005,A1.Locationinpatent:Page/Pagecolumn7;15

[1]TetrahedronLetters,2008,vol.49,p.1832-1835

[1]CurrentPatentAssignee:EPIZYME,INC.-WO2014/100730,2014,A1

[2]CurrentPatentAssignee:EPIZYME,INC.-US2019/83482,2019,A1

Literature
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SDS
Tags:27489-33-4 Molecular Formula|27489-33-4 MDL|27489-33-4 SMILES|27489-33-4 2-(Methylsulfonyl)phenol