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Home Fluorides 231291-22-8
231291-22-8,MFCD00792430
Catalog No.:AA002M72

231291-22-8 | 6-(Trifluoromethyl)nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$18.00   $13.00
- +
10g
95%
in stock  
$23.00   $16.00
- +
25g
95%
in stock  
$52.00   $37.00
- +
100g
98%
in stock  
$191.00   $134.00
- +
  • 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:
AA002M72
Chemical Name:
6-(Trifluoromethyl)nicotinic acid
CAS Number:
231291-22-8
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD00792430
SMILES:
OC(=O)c1ccc(nc1)C(F)(F)F
NSC Number:
727682
Properties
Properties
 
BP:
259.3°C at 760 mmHg  
Form:
Solid  
MP:
193-197 °C(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
204  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Upstream Synthesis Route

[1]EuropeanJournalofOrganicChemistry,2003,#8,p.1569-1575

[1]EuropeanJournalofOrganicChemistry,2003,#8,p.1569-1575

[1]EuropeanJournalofOrganicChemistry,2003,#8,p.1569-1575

[1]Patent:CN107298677,2017,A,.Locationinpatent:Paragraph0036-0038

[2]Patent:CN107337638,2017,A,.Locationinpatent:Paragraph0031;0032;0033

[3]Patent:EP1122242,2001,A1,

[4]Patent:US6673799,2004,B1,.Locationinpatent:Pagecolumn16

[1]Patent:CN107382989,2017,A,.Locationinpatent:Paragraph0021;0036-0038

Downstream Synthesis Route

[1]EuropeanJournalofOrganicChemistry,2003,p.1569-1575

[1]Chen,Yin-Bo;Li,Ji-Ling;Shao,Xu-Sheng;Xu,Xiao-Yong;Li,Zhong[ChineseChemicalLetters,2013,vol.24,#8,p.673-676]

[2]Kinoyama,Isao;Taniguchi,Nobuaki;Toyoshima,Akira;Nozawa,Eisuke;Kamikubo,Takashi;Imamura,Masakazu;Matsuhisa,Akira;Samizu,Kiyohiro;Kawanimani,Eiji;Niimi,Tatsuya;Hamada,Noritaka;Koutoku,Hiroshi;Furutani,Takashi;Kudoh,Masafumi;Okada,Minoru;Ohta,Mitsuaki;Tsukamoto,Shin-Ichi[JournalofMedicinalChemistry,2006,vol.49,#2,p.716-726]

[3]CurrentPatentAssignee:NATCOPHARMALIMITED-WO2006/27795,2006,A1Locationinpatent:Page/Pagecolumn36-37

[4]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2014/107094,2014,A1Locationinpatent:Paragraph0541;0542

[5]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2014/107097,2014,A1Locationinpatent:Paragraph0298;0299

[6]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/105404,2015,A1Locationinpatent:Paragraph0195

[7]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2015/57200,2015,A1Locationinpatent:Page/Pagecolumn41;42

[8]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/105365,2015,A1Locationinpatent:Paragraph0191;0192

[9]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/105366,2015,A1Locationinpatent:Paragraph0188;0189

[10]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2015/57205,2015,A1Locationinpatent:Page/Pagecolumn59;60

[11]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2015/57203,2015,A1Locationinpatent:Page/Pagecolumn50

[12]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/111870,2015,A1Locationinpatent:Paragraph0361;0362

[13]Li,Jiling;Zhang,Zhicheng;Xu,Xiaoyong;Shao,Xusheng;Li,Zhong[AustralianJournalofChemistry,2015,vol.68,#10,p.1543-1549]

[14]CurrentPatentAssignee:JOHNSON&JOHNSONINC-KR2016/70823,2016,ALocationinpatent:Paragraph0189-0192

[15]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2005/110982,2005,A2Locationinpatent:Page/Pagecolumn44

[16]CurrentPatentAssignee:MERCK&COINC-WO2008/108957,2008,A2Locationinpatent:Page/Pagecolumn57-58

[17]CurrentPatentAssignee:BENEVOLENTAILIMITED-WO2009/127678,2009,A1Locationinpatent:Page/Pagecolumn38

[18]Tanis,VirginiaM.;Venkatesan,Hariharan;Cummings,MaxwellD.;Albers,Michael;KentBarbay;Herman,Krystal;Kummer,DavidA.;Milligan,Cynthia;Nelen,MarinaI.;Nishimura,Rachel;Schlueter,Thomas;Scott,Brian;Spurlino,John;Wolin,Ronald;Woods,Craig;Xue,Xiaohua;Edwards,JamesP.;Fourie,AnneM.;Leonard,Kristi[BioorganicandMedicinalChemistryLetters,2019,vol.29,#12,p.1463-1470]

[19]CurrentPatentAssignee:MITSUICHEMICALS,INC.-WO2019/59412,2019,A1Locationinpatent:Paragraph0161;0168

[20]CurrentPatentAssignee:FUJIANHAIXIPHARMACEUTICALSCOLTD-WO2019/174601,2019,A1Locationinpatent:Page/Pagecolumn77-78

[21]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-US2006/9456,2006,A1Locationinpatent:Page/Pagecolumn36

[22]Sakai,HoltA.;Liu,Wei;Le,Chi;MacMillan,DavidW.C.[JournaloftheAmericanChemicalSociety,2020,vol.142,#27,p.11691-11697]

[23]CurrentPatentAssignee:STPHARMCO.,LTD.-EP3744726,2020,A1Locationinpatent:Paragraph0063;0090

[24]Carminati,DanielaM.;Decaens,Jonathan;Couve-Bonnaire,Samuel;Jubault,Philippe;Fasan,Rudi[AngewandteChemie-InternationalEdition,2021,vol.60,#13,p.7072-7076][Angew.Chem.,2021,vol.133,#13,p.7148-7152,5]

[25]Chen,Lei;Cheng,Jiagao;Qian,Xuhong;Shao,Xusheng;Yang,Qing;Zhu,Ling[JournalofAgriculturalandFoodChemistry,2021,vol.69,#27,p.7526-7533]

[26]Ito,Yuri;Kodama,Takuya;Nakatani,Syun;Shiraki,Ryota;Tobisu,Mamoru[JournaloftheAmericanChemicalSociety,2022,vol.144,#2,p.662-666]

[1]Patent:CN107298677,2017,A.Locationinpatent:Paragraph0036-0038

[2]Patent:CN107337638,2017,A.Locationinpatent:Paragraph0031;0032;0033

[3]Patent:CN107333975,2019,B.Locationinpatent:Paragraph0033-0035

[4]Patent:EP1122242,2001,A1

[5]Patent:US6673799,2004,B1.Locationinpatent:Pagecolumn16

[6]Patent:CN109160897,2019,A.Locationinpatent:Paragraph0050-0058

[1]CurrentPatentAssignee:NIPPONSTEELCORPORATION;KYUSHUINSTITUTEOFTECHNOLOGY-JP2017/178911,2017,ALocationinpatent:Paragraph0132;0133

[2]CurrentPatentAssignee:H.LUNDBECKA/S;MINDIMMUNETHERAPEUTICS-US2014/107340,2014,A1Locationinpatent:Paragraph0115

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/148853,2008,A1Locationinpatent:Page/Pagecolumn182

[4]Liu,Ping;Wang,Liping;Dubois,ByronG.;Colandrea,VincentJ.;Liu,Rongqiang;Cai,Jiaqiang;Du,Xiaoxing;Quan,Weiguo;Morris,William;Bai,Jianwu;Bishwokarma,Bimjhana;Cheng,Mangeng;Piesvaux,Jennifer;Ray,Kallol;Alpert,Carla;Chiu,Chi-Sung;Zielstorff,Mark;Metzger,JosephM.;Yang,Liming;Leung,Dennis;Alleyne,Candice;Vincent,StellaH.;Pucci,Vincenzo;Li,Xiaofang;Crespo,Alejandro;Stickens,Dominique;Hale,JeffreyJ.;Ujjainwalla,Feroze;Sinz,ChristopherJ.[ACSMedicinalChemistryLetters,2018,vol.9,#12,p.1193-1198]

[5]CurrentPatentAssignee:ABBVIEINC-WO2013/62966,2013,A2CurrentPatentAssignee:ABBVIEINC-US2013/131036,2013,A1

[6]CurrentPatentAssignee:SHENZHENBIOEASYBIOTECHNOLOGYCOLTD-CN113480474,2021,ALocationinpatent:Paragraph0120-0121

[1]Patent:US2011/178134,2011,A1

[2]Patent:WO2008/148853,2008,A1

Literature
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