536974-94-4,MFCD11190327
Catalog No.:AA00DJKG

536974-94-4 | (4-(Benzyloxy)-3-fluorophenyl)methanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$107.00   $75.00
- +
1g
96%
in stock  
$231.00   $162.00
- +
5g
96%
in stock  
$709.00   $497.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DJKG
Chemical Name:
(4-(Benzyloxy)-3-fluorophenyl)methanol
CAS Number:
536974-94-4
Molecular Formula:
C14H13FO2
Molecular Weight:
232.2502
MDL Number:
MFCD11190327
SMILES:
OCc1ccc(c(c1)F)OCc1ccccc1
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2007/14895,2007,A2Locationinpatent:Page/Pagecolumn33

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG;AJINOMOTOCOMPANYINC-WO2008/87198,2008,A1Locationinpatent:Page/Pagecolumn47

[3]Woo,L.W.Lawrence;Bubert,Christian;Sutcliffe,Oliver-B.;Smith,Andrew;Chander,SurinderK.;Mahon,MaryF.;Purohit,Atul;Reed,MichaelJ.;Potter,BarryV.L.[JournalofMedicinalChemistry,2007,vol.50,#15,p.3540-3560]

[4]CurrentPatentAssignee:angolul:ChemicalWorksofGedeonRichterPlc.GedeonRichterPlc.-US2004/19016,2004,A1Locationinpatent:Page/Pagecolumn60

[5]CurrentPatentAssignee:ESTRYXPHARMA-WO2011/23989,2011,A1Locationinpatent:Page/Pagecolumn84-85

[6]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP3643703,2020,A1Locationinpatent:Paragraph0449;0451

[1]JournalofFluorineChemistry,2015,vol.178,p.202-207

Literature
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Additional Info:
SDS
Tags:536974-94-4 Molecular Formula|536974-94-4 MDL|536974-94-4 SMILES|536974-94-4 (4-(Benzyloxy)-3-fluorophenyl)methanol
Catalog No.: AA00DJKG
536974-94-4,MFCD11190327
536974-94-4 | (4-(Benzyloxy)-3-fluorophenyl)methanol
Pack Size: 250mg
Purity: 96%
in stock
$107.00 $75.00
Pack Size: 1g
Purity: 96%
in stock
$231.00 $162.00
Pack Size: 5g
Purity: 96%
in stock
$709.00 $497.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DJKG
Chemical Name: (4-(Benzyloxy)-3-fluorophenyl)methanol
CAS Number: 536974-94-4
Molecular Formula: C14H13FO2
Molecular Weight: 232.2502
MDL Number: MFCD11190327
SMILES: OCc1ccc(c(c1)F)OCc1ccccc1
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 216  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
175968-61-3    536974-94-4 

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2007/14895,2007,A2Locationinpatent:Page/Pagecolumn33

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG;AJINOMOTOCOMPANYINC-WO2008/87198,2008,A1Locationinpatent:Page/Pagecolumn47

[3]Woo,L.W.Lawrence;Bubert,Christian;Sutcliffe,Oliver-B.;Smith,Andrew;Chander,SurinderK.;Mahon,MaryF.;Purohit,Atul;Reed,MichaelJ.;Potter,BarryV.L.[JournalofMedicinalChemistry,2007,vol.50,#15,p.3540-3560]

[4]CurrentPatentAssignee:angolul:ChemicalWorksofGedeonRichterPlc.GedeonRichterPlc.-US2004/19016,2004,A1Locationinpatent:Page/Pagecolumn60

[5]CurrentPatentAssignee:ESTRYXPHARMA-WO2011/23989,2011,A1Locationinpatent:Page/Pagecolumn84-85

[6]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP3643703,2020,A1Locationinpatent:Paragraph0449;0451

350-29-8    536974-94-4 

[1]JournalofFluorineChemistry,2015,vol.178,p.202-207

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