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122665-97-8,MFCD03788493
Catalog No.:AA0033RZ

122665-97-8 | 4,4-Difluorocyclohexanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>97%
in stock  
$14.00   $10.00
- +
5g
>97%
in stock  
$29.00   $20.00
- +
10g
95%
in stock  
$30.00   $21.00
- +
25g
>97%
in stock  
$64.00   $45.00
- +
100g
97%
in stock  
$203.00   $142.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033RZ
Chemical Name:
4,4-Difluorocyclohexanecarboxylic acid
CAS Number:
122665-97-8
Molecular Formula:
C7H10F2O2
Molecular Weight:
164.1499
MDL Number:
MFCD03788493
SMILES:
OC(=O)C1CCC(CC1)(F)F
Properties
Properties
 
BP:
241.1 °C at 760 mmHg  
Form:
Solid  
MP:
103-107 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Upstream Synthesis Route

[1]Patent:WO2011/104334,2011,A1,

[1]BioorganicandMedicinalChemistry,2016,vol.24,#22,p.5969-5987

[2]TetrahedronLetters,2005,vol.46,#30,p.5005-5007

[3]TetrahedronLetters,2005,vol.46,#30,p.5005-5007

[4]Patent:WO2013/13188,2013,A1,

[5]Patent:US2014/275080,2014,A1,

[6]Patent:US9416132,2016,B2,

[7]Patent:CN105061188,2017,B,.Locationinpatent:Paragraph0029;0030;0031;0032;0033;0034-0037

[1]Patent:US2014/275080,2014,A1,.Locationinpatent:Paragraph0428

[2]Patent:WO2013/13188,2013,A1,.Locationinpatent:Paragraph00313;00314

[3]Patent:US9416132,2016,B2,.Locationinpatent:Page/Pagecolumn134;135

[4]OrganicLetters,2018,vol.20,#16,p.4959-4963

[5]Patent:US2008/146605,2008,A1,.Locationinpatent:Page/Pagecolumn39-40

[6]Patent:EP1985603,2008,A1,.Locationinpatent:Page/Pagecolumn7-8

[7]TetrahedronLetters,2005,vol.46,#30,p.5005-5007

[8]Patent:EP1985603,2008,A1,.Locationinpatent:Page/Pagecolumn7

[9]OrganicProcessResearchandDevelopment,2008,vol.12,#6,p.1094-1103

[10]Patent:EP1985603,2008,A1,.Locationinpatent:Page/Pagecolumn7

[11]Patent:WO2007/21309,2007,A1,.Locationinpatent:Page/Pagecolumn34-35

[1]Patent:CN105061188,2017,B,.Locationinpatent:Paragraph0029;0030;0031;0032;0033;0034

[1]Patent:WO2015/62486,2015,A1,.Locationinpatent:Paragraph00219

Downstream Synthesis Route

[1]EuropeanJournalofOrganicChemistry,2018,vol.2018,p.1821-1832

[2]TetrahedronLetters,2005,vol.46,p.5005-5007

[1]Patent:US2014/275080,2014,A1.Locationinpatent:Paragraph0428

[2]Patent:WO2013/13188,2013,A1.Locationinpatent:Paragraph00313;00314

[3]Patent:US9416132,2016,B2.Locationinpatent:Page/Pagecolumn134;135

[4]OrganicLetters,2018,vol.20,p.4959-4963

[5]Patent:US2008/146605,2008,A1.Locationinpatent:Page/Pagecolumn39-40

[6]Patent:EP1985603,2008,A1.Locationinpatent:Page/Pagecolumn7-8

[7]TetrahedronLetters,2005,vol.46,p.5005-5007

[8]Patent:EP1985603,2008,A1.Locationinpatent:Page/Pagecolumn7

[9]OrganicProcessResearchandDevelopment,2008,vol.12,p.1094-1103

[10]Patent:WO2018/213150,2018,A1.Locationinpatent:Page/Pagecolumn20;21;28;29

[11]Patent:EP1985603,2008,A1.Locationinpatent:Page/Pagecolumn7

[12]Patent:WO2007/21309,2007,A1.Locationinpatent:Page/Pagecolumn34-35

[1]Arnatt,ChristopherK.;Falls,BethanyA.;Yuan,Yunyun;Raborg,ThomasJ.;Masvekar,RuturajR.;El-Hage,Nazira;Selley,DanaE.;Nicola,AnthonyV.;Knapp,PamelaE.;Hauser,KurtF.;Zhang,Yan[BioorganicandMedicinalChemistry,2016,vol.24,#22,p.5969-5987]

[2]Price,DavidA.;Gayton,Simon;Selby,MatthewD.;Ahman,Jens;Haycock-Lewandowski,Sarah;Stammen,BlandaL.;Warren,Andrew[TetrahedronLetters,2005,vol.46,#30,p.5005-5007]

[3]Price,DavidA.;Gayton,Simon;Selby,MatthewD.;Ahman,Jens;Haycock-Lewandowski,Sarah;Stammen,BlandaL.;Warren,Andrew[TetrahedronLetters,2005,vol.46,#30,p.5005-5007]

[4]CurrentPatentAssignee:SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoChemical(w/oDongwooFine-Chem);SumitomoPharma(in:SumitomoChemical)-WO2013/13188,2013,A1

[5]CurrentPatentAssignee:DECIPHERAPHARMACEUTICALSLLC-US2014/275080,2014,A1

[6]CurrentPatentAssignee:SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoChemical(w/oDongwooFine-Chem);SumitomoPharma(in:SumitomoChemical)-US9416132,2016,B2

[7]CurrentPatentAssignee:SHANGHAIAQBIOPHARMA-CN105061188,2017,BLocationinpatent:Paragraph0029;0030;0031;0032;0033;0034-0037

[8]CurrentPatentAssignee:ASTELLASPHARMAINC.-WO2018/213150,2018,A1

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/121145,2005,A2Locationinpatent:Page/Pagecolumn138-139

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2006/1752,2006,A1Locationinpatent:Page/Pagecolumn70

Literature
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SDS
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