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444915-76-8,MFCD12922540
Catalog No.:AA01ACKM

444915-76-8 | Methyl 4-(difluoromethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$69.00   $48.00
- +
1g
97%
in stock  
$84.00   $59.00
- +
5g
97%
in stock  
$336.00   $235.00
- +
25g
97%
in stock  
$1,293.00   $905.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01ACKM
Chemical Name:
Methyl 4-(difluoromethyl)benzoate
CAS Number:
444915-76-8
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD12922540
SMILES:
COC(=O)c1ccc(cc1)C(F)F
Properties
Computed Properties
 
Complexity:
175  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route

[1]Melvin,PatrickR.;Ferguson,DevinM.;Schimler,SydonieD.;Bland,DouglasC.;Sanford,MelanieS.[OrganicLetters,2019,vol.21,#5,p.1350-1353]

[2]CurrentPatentAssignee:KAKENPHARMACEUTICALCOLTD-US2016/130232,2016,A1Locationinpatent:Paragraph0270

[3]CurrentPatentAssignee:KAKENPHARMACEUTICALCOLTD-KR2016/18745,2016,ALocationinpatent:Paragraph0414;0416

[4]Zhang,Hua;Yeung,Kimy;Robbins,JessicaS.;Pavlick,RyanA.;Wu,Meng;Liu,Ran;Sen,Ayusman;Phillips,ScottT.[AngewandteChemie-InternationalEdition,2012,vol.51,#10,p.2400-2404]

[5]Furuya,Tsukasa;Fukuhara,Tsuyoshi;Hara,Shoji[JournalofFluorineChemistry,2005,vol.126,#5,p.721-725]

[6]Baker,MatthewS.;Phillips,ScottT.[JournaloftheAmericanChemicalSociety,2011,vol.133,#14,p.5170-5173]

[7]CurrentPatentAssignee:ROCHEHOLDINGAG;ELILILLY&CO-US2012/302608,2012,A1Locationinpatent:Page/Pagecolumn11

[8]CurrentPatentAssignee:RUGENHOLDINGS(CAYMAN)LTD-WO2016/100349,2016,A2Locationinpatent:Paragraph0217

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

[10]CurrentPatentAssignee:ROCHEHOLDINGAG;PFIZERINC-WO2013/148851,2013,A1Locationinpatent:Paragraph00226

[11]CurrentPatentAssignee:EXELIXISINC-WO2014/144037,2014,A1Locationinpatent:Page/Pagecolumn91

[12]CurrentPatentAssignee:ENERSYS;TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2848618,2015,A1Locationinpatent:Paragraph0836

[13]Zhao,Zhensheng;Kulkarni,KaivalyaG.;Murphy,GrahamK.[AdvancedSynthesisandCatalysis,2017,vol.359,#13,p.2222-2228]

[14]CurrentPatentAssignee:RUGENHOLDINGS(CAYMAN)LTD-WO2018/98128,2018,A1Locationinpatent:Paragraph0407

[15]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]

[16]Huang,Linwei;Liu,Wei;Zhao,Liang-Liang;Zhang,Zengyu;Yan,Xiaoyu[JournalofOrganicChemistry,2021,vol.86,#5,p.3981-3988]

[17]Bo,Zhi-Yu;Chen,Lin;Gao,Tian-Yu;Jing,Ke;Lan,Yu;Liu,Shi-Han;Luo,Shu-Ping;Yan,Si-Shun;Yu,Bo;Yu,Da-Gang[Chem,2021,vol.7,#11,p.3099-3113]

[1]CurrentPatentAssignee:ABBVIEINC-US2009/124666,2009,A1Locationinpatent:Page/Pagecolumn28

[2]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2020/43866,2020,A1Locationinpatent:Page/Pagecolumn33

[3]Mahy,William;Willis,NickyJ.;Zhao,Yuguang;Woodward,HannahL.;Svensson,Fredrik;Sipthorp,James;Vecchia,Luca;Ruza,ReinisR.;Hillier,James;Kjær,Svend;Frew,Sarah;Monaghan,Amy;Bictash,Magda;Salinas,PatriciaC.;Whiting,Paul;Vincent,Jean-Paul;Jones,E.Yvonne;Fish,PaulV.[JournalofMedicinalChemistry,2020,vol.63,#21,p.12942-12956]

[1]CurrentPatentAssignee:PFIZERINC;ROCHEHOLDINGAG-WO2013/148851,2013,A1Locationinpatent:Paragraph00227

[2]CurrentPatentAssignee:ELILILLY&CO;ROCHEHOLDINGAG-US2012/302608,2012,A1Locationinpatent:Page/Pagecolumn11

[3]Zhang,Hua;Yeung,Kimy;Robbins,JessicaS.;Pavlick,RyanA.;Wu,Meng;Liu,Ran;Sen,Ayusman;Phillips,ScottT.[AngewandteChemie-InternationalEdition,2012,vol.51,#10,p.2400-2404]

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED;ENERSYS-EP2848618,2015,A1Locationinpatent:Paragraph0837

Literature
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Tags:444915-76-8 Molecular Formula|444915-76-8 MDL|444915-76-8 SMILES|444915-76-8 Methyl 4-(difluoromethyl)benzoate