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145878-50-8,MFCD07787223
Catalog No.:AA001DE8

145878-50-8 | tert-Butyl N-(3-cyanophenyl)carbamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$12.00   $8.00
- +
1g
98%
in stock  
$34.00   $24.00
- +
5g
98%
in stock  
$68.00   $48.00
- +
25g
98%
in stock  
$311.00   $218.00
- +
100g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001DE8
Chemical Name:
tert-Butyl N-(3-cyanophenyl)carbamate
CAS Number:
145878-50-8
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD07787223
SMILES:
N#Cc1cccc(c1)NC(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
298  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC;SUNESISPHARMACEUTICALSINC-WO2006/44497,2006,A2Locationinpatent:Page/Pagecolumn148

[2]Chu,AdrianJun;Ip,Margaret;Lam,NgaMan;Li,KendraSekLam;Ma,Cong;Qiu,Yangyi;Tsang,TszFung;Yang,Xiao;Zheng,Yingbo[BioorganicChemistry,2022,vol.124]

[3]Chu,AdrianJun;Ip,Margaret;Lam,NgaMan;Li,KendraSekLam;Ma,Cong;Qiu,Yangyi;Tsang,TszFung;Yang,Xiao;Zheng,Yingbo[BioorganicChemistry,2022,vol.124]

[4]Bartoli,Giuseppe;Bosco,Marcella;Locatelli,Manuela;Marcantoni,Enrico;Massaccesi,Massimo;Melchiorre,Paolo;Sambri,Letizia[Synlett,2004,#10,p.1794-1798]

[5]Locationinpatent:experimentalpartTagad,HarichandraD.;Hamada,Yoshio;Nguyen,Jeffrey-Tri;Hamada,Takashi;Abdel-Rahman,Hamdy;Yamani,Abdellah;Nagamine,Ayaka;Ikari,Hayato;Igawa,Naoto;Hidaka,Koushi;Sohma,Youhei;Kimura,Tooru;Kiso,Yoshiaki[BioorganicandMedicinalChemistry,2010,vol.18,#9,p.3175-3186]

[6]Choong,IngridC.;Lew,Willard;Lee,Dennis;Pham,Phuongly;Burdett,MatthewT.;Lam,JoniW.;Wiesmann,Christian;Luong,TinhN.;Fahr,Bruce;DeLano,WarrenL.;McDowell,RobertS.;Allen,DarinA.;Erlanson,DanielA.;Gordon,EricM.;O'Brien,Tom[JournalofMedicinalChemistry,2002,vol.45,#23,p.5005-5022]

[7]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2007/66819,2007,A1Locationinpatent:Page/Pagecolumn19

[8]Wang,Peng;Farmer,MarcusE.;Huo,Xing;Jain,Pankaj;Shen,Peng-Xiang;Ishoey,Mette;Bradner,JamesE.;Wisniewski,StevenR.;Eastgate,MartinD.;Yu,Jin-Quan[JournaloftheAmericanChemicalSociety,2016,vol.138,#29,p.9269-9276]

[1]Choong,IngridC.;Lew,Willard;Lee,Dennis;Pham,Phuongly;Burdett,MatthewT.;Lam,JoniW.;Wiesmann,Christian;Luong,TinhN.;Fahr,Bruce;DeLano,WarrenL.;McDowell,RobertS.;Allen,DarinA.;Erlanson,DanielA.;Gordon,EricM.;O'Brien,Tom[JournalofMedicinalChemistry,2002,vol.45,#23,p.5005-5022]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2007/66819,2007,A1Locationinpatent:Page/Pagecolumn19

[1]Locationinpatent:experimentalpartTagad,HarichandraD.;Hamada,Yoshio;Nguyen,Jeffrey-Tri;Hamada,Takashi;Abdel-Rahman,Hamdy;Yamani,Abdellah;Nagamine,Ayaka;Ikari,Hayato;Igawa,Naoto;Hidaka,Koushi;Sohma,Youhei;Kimura,Tooru;Kiso,Yoshiaki[BioorganicandMedicinalChemistry,2010,vol.18,#9,p.3175-3186]

[2]Kimura,Tooru;Hamada,Yoshio;Stochaj,Monika;Ikari,Hayato;Nagamine,Ayaka;Abdel-Rahman,Hamdy;Igawa,Naoto;Hidaka,Koushi;Nguyen,Jeffrey-Tri;Saito,Kazuki;Hayashi,Yoshio;Kiso,Yoshiaki[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2380-2386]

[3]CurrentPatentAssignee:MERCK&COINC-US5220018,1993,A

[4]Huhtiniemi,Tero;Suuronen,Tiina;Rinne,ValtteriM.;Wittekindt,Carsten;Lahtela-Kakkonen,Maija;Jarho,Elina;Wallén,ErikA.A.;Salminen,Antero;Poso,Antti;Leppänen,Jukka[JournalofMedicinalChemistry,2008,vol.51,#15,p.4377-4380]

[1]Kimura,Tooru;Hamada,Yoshio;Stochaj,Monika;Ikari,Hayato;Nagamine,Ayaka;Abdel-Rahman,Hamdy;Igawa,Naoto;Hidaka,Koushi;Nguyen,Jeffrey-Tri;Saito,Kazuki;Hayashi,Yoshio;Kiso,Yoshiaki[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2380-2386]

145878-50-8   
3-(5-thioxo-4,5-dihydro-1,2,4oxadiazol-3-yl)-phenyl-carbamicacid<i>tert</i>-butylester 

[1]Kimura,Tooru;Hamada,Yoshio;Stochaj,Monika;Ikari,Hayato;Nagamine,Ayaka;Abdel-Rahman,Hamdy;Igawa,Naoto;Hidaka,Koushi;Nguyen,Jeffrey-Tri;Saito,Kazuki;Hayashi,Yoshio;Kiso,Yoshiaki[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2380-2386]

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