Name: Name:Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
Brand: AABLOCKS
SKU: AA003Q08
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003Q08

Chemical Name: Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

CAS Number: 35978-33-7

Molecular Formula: C13H12FNO2S

Molecular Weight: 265.3033

MDL Number: MFCD00239291

SMILES: CCOC(=O)c1c(N)scc1c1ccc(cc1)F

Properties

BP: 388.7°C at 760 mmHg

Form: Solid

MP: 92-95 °C

Storage: Keep in dry area;2-8℃;

Complexity: 295

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.8

Downstream Synthesis Route

60100-09-6

35978-33-7

35978-37-1

[1]Arya,V.P.;Ghate,S.P.[IndianJournalofChemistry,1971,vol.9,p.1209-1212]

[2]Locationinpatent:experimentalpartGolub,AndriyG.;Bdzhola,VolodymyrG.;Briukhovetska,NadiiaV.;Balanda,AnatoliyO.;Kukharenko,OlexanderP.;Kotey,IgorM.;Ostrynska,OlgaV.;Yarmoluk,SergiyM.[EuropeanJournalofMedicinalChemistry,2011,vol.46,#3,p.870-876]

[3]Sasmal,PradipK.;Jaleel,Mahaboobi;Rao,P.Tirumala;Munikumar;Bhattacharya,Megha;Kumar,NutakkiRavi;Neelima,Poondla;Rawoof,KhajiAbdul;Rao,P.Narasimha;Abbineni,Chandrasekhar;Roshaiah;Sridhar;Kumar,ThammeraRanjith;Vinu,MenonC.A.;Potluri,Vijay;Misra,Parimal;Talwar,Rashmi;Das,SaibalKumar[Lettersindrugdesignanddiscovery,2014,vol.11,#6,p.778-785]

[4]Ostrynska,OlgaV.;Balanda,AnatoliyO.;Bdzhola,VolodymyrG.;Golub,AndriyG.;Kotey,IgorM.;Kukharenko,OlexanderP.;Gryshchenko,AndriiA.;Briukhovetska,NadiiaV.;Yarmoluk,SergiyM.[EuropeanJournalofMedicinalChemistry,2016,vol.115,p.148-160]

403-42-9

105-56-6

35978-33-7

[1]Duval,Eric;Case,April;Stein,RossL.;Cuny,GregoryD.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#7,p.1885-1889]

[2]Zhao,Gang;Iyengar,RajeshR.;Judd,AndrewS.;Cool,Barbara;Chiou,William;Kifle,Lemma;Frevert,Ernst;Sham,Hing;Kym,PhilipR.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3254-3257]

[3]Locationinpatent:schemeortableYe,Deju;Zhang,Yu;Wang,Fei;Zheng,Mingfang;Zhang,Xu;Luo,Xiaomin;Shen,Xu;Jiang,Hualiang;Liu,Hong[BioorganicandMedicinalChemistry,2010,vol.18,#5,p.1773-1782]

[4]Locationinpatent:experimentalpartGolub,AndriyG.;Bdzhola,VolodymyrG.;Briukhovetska,NadiiaV.;Balanda,AnatoliyO.;Kukharenko,OlexanderP.;Kotey,IgorM.;Ostrynska,OlgaV.;Yarmoluk,SergiyM.[EuropeanJournalofMedicinalChemistry,2011,vol.46,#3,p.870-876]

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/100732,2012,A1Locationinpatent:Page/Pagecolumn32

[6]Sasmal,PradipK.;Jaleel,Mahaboobi;Rao,P.Tirumala;Munikumar;Bhattacharya,Megha;Kumar,NutakkiRavi;Neelima,Poondla;Rawoof,KhajiAbdul;Rao,P.Narasimha;Abbineni,Chandrasekhar;Roshaiah;Sridhar;Kumar,ThammeraRanjith;Vinu,MenonC.A.;Potluri,Vijay;Misra,Parimal;Talwar,Rashmi;Das,SaibalKumar[Lettersindrugdesignanddiscovery,2014,vol.11,#6,p.778-785]

[7]Ostrynska,OlgaV.;Balanda,AnatoliyO.;Bdzhola,VolodymyrG.;Golub,AndriyG.;Kotey,IgorM.;Kukharenko,OlexanderP.;Gryshchenko,AndriiA.;Briukhovetska,NadiiaV.;Yarmoluk,SergiyM.[EuropeanJournalofMedicinalChemistry,2016,vol.115,p.148-160]

103-72-0

35978-33-7

440111-87-5

[1]Duval,Eric;Case,April;Stein,RossL.;Cuny,GregoryD.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#7,p.1885-1889]

35978-33-7

1544-68-9

478845-20-4

[1]Duval,Eric;Case,April;Stein,RossL.;Cuny,GregoryD.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#7,p.1885-1889]

372-09-8

35978-33-7

546116-60-3

[1]Zhao,Gang;Iyengar,RajeshR.;Judd,AndrewS.;Cool,Barbara;Chiou,William;Kifle,Lemma;Frevert,Ernst;Sham,Hing;Kym,PhilipR.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3254-3257]

35978-33-7 | Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate