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121669-70-3,MFCD05663855
Catalog No.:AA0015GM

121669-70-3 | t-Butyl 4-iodopyrazole-1-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$9.00   $7.00
- +
5g
97%
in stock  
$25.00   $18.00
- +
10g
97%
in stock  
$41.00   $29.00
- +
25g
97%
in stock  
$76.00   $54.00
- +
  • 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:
AA0015GM
Chemical Name:
t-Butyl 4-iodopyrazole-1-carboxylate
CAS Number:
121669-70-3
Molecular Formula:
C8H11IN2O2
Molecular Weight:
294.0896
MDL Number:
MFCD05663855
SMILES:
O=C(n1ncc(c1)I)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
2.2  

Upstream Synthesis Route

[1]Patent:CN106188116,2016,A,.Locationinpatent:Paragraph0018;0019

[1]Patent:EP946508,2009,B1,.Locationinpatent:Page/Pagecolumn58

[2]Patent:WO2012/123745,2012,A1,.Locationinpatent:Page/Pagecolumn64

[3]AngewandteChemie-InternationalEdition,2013,vol.52,#32,p.8290-8294

[4]Angew.Chem.,2013,vol.125,#32,p.8448-8452,5

[5]JournalofMedicinalChemistry,2013,vol.56,#24,p.10045-10065

[6]Patent:US2013/345181,2013,A1,.Locationinpatent:Paragraph0621;0623

[7]Patent:CN106188116,2016,A,.Locationinpatent:Paragraph0018

[8]Arkivoc,2014,vol.2014,#6,p.54-71

[1]Patent:US6020357,2000,A,

Downstream Synthesis Route
3469-69-0   
(Boc)2O 
  121-44-8    121669-70-3 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US6020357,2000,A

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP946508,2009,B1Locationinpatent:Page/Pagecolumn58

[2]CurrentPatentAssignee:CANCERRESEARCHUK-WO2012/123745,2012,A1Locationinpatent:Page/Pagecolumn64

[3]Padial,NataliaM.;QuartapelleProcopio,Elsa;Montoro,Carmen;Lopez,Elena;Oltra,J.Enrique;Colombo,Valentina;Maspero,Angelo;Masciocchi,Norberto;Galli,Simona;Senkovska,Irena;Kaskel,Stefan;Barea,Elisa;Navarro,JorgeA.R.[AngewandteChemie-InternationalEdition,2013,vol.52,#32,p.8290-8294][Angew.Chem.,2013,vol.125,#32,p.8448-8452,5]

[4]Naud,Sébastien;Westwood,IsaacM.;Faisal,Amir;Sheldrake,Peter;Bavetsias,Vassilios;Atrash,Butrus;Cheung,Kwai-MingJ.;Liu,Manjuan;Hayes,Angela;Schmitt,Jessica;Wood,Amy;Choi,Vanessa;Boxall,Kathy;Mak,Grace;Gurden,Mark;Valenti,Melanie;DeHavenBrandon,Alexis;Henley,Alan;Baker,Ross;McAndrew,Craig;Matijssen,Berry;Burke,Rosemary;Hoelder,Swen;Eccles,SuzanneA.;Raynaud,FlorenceI.;Linardopoulos,Spiros;VanMontfort,RobL.M.;Blagg,Julian[JournalofMedicinalChemistry,2013,vol.56,#24,p.10045-10065]

[5]CurrentPatentAssignee:CANCERRESEARCHUK-US2013/345181,2013,A1Locationinpatent:Paragraph0621;0623

[6]CurrentPatentAssignee:GUANGDONGUNIVERSITYOFTECHNOLOGY-CN111909090,2020,ALocationinpatent:Paragraph0050-0052

[7]CurrentPatentAssignee:CANGZHOUPURUIDONGFANGSCIENCEANDTECH-CN106188116,2016,ALocationinpatent:Paragraph0018

[8]Mazeikaite,Rita;Sudzius,Jurgis;Urbelis,Gintaras;Labanauskas,Linas[ARKIVOC,2014,vol.2014,#6,p.54-71]

[9]Hu,Jieying;Deng,Xiangling;Zhang,Hu;Diao,Yingxue;Cheng,Shengxian;Zheng,Sai-Li;Liao,Wei-Ming;He,Jun;Xu,Zhengtao[InorganicChemistry,2021,vol.60,#1,p.161-166]

[10]Hu,Jieying;Zhang,Hu;Feng,Zihao;Luo,Qian-Ru;Wu,Can-Min;Zhong,Yuan-Hui;Li,Jian-Rong;Chung,Lai-Hon;Liao,Wei-Ming;He,Jun[ChineseChemicalLetters,2022,vol.33,#6,p.3227-3230]

[11]CurrentPatentAssignee:THERAVANCEBIOPHARMA,INC.-US2020/188370,2020,A1Locationinpatent:Paragraph0479;0748;0749

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-EP946508,2009,B1Locationinpatent:Page/Pagecolumn58

[1]Locationinpatent:experimentalpartUsami,Yoshihide;Ichikawa,Hayato;Harusawa,Shinya[Heterocycles,2011,vol.83,#4,p.827-835]

[1]Merkul,Eugen;Klukas,Fabian;Dorsch,Dieter;Graedler,Ulrich;Greiner,HartmutE.;Mueller,ThomasJ.J.[OrganicandBiomolecularChemistry,2011,vol.9,#14,p.5129-5136]

[2]CurrentPatentAssignee:CANCERRESEARCHUK-WO2012/123745,2012,A1

[3]Naud,Sébastien;Westwood,IsaacM.;Faisal,Amir;Sheldrake,Peter;Bavetsias,Vassilios;Atrash,Butrus;Cheung,Kwai-MingJ.;Liu,Manjuan;Hayes,Angela;Schmitt,Jessica;Wood,Amy;Choi,Vanessa;Boxall,Kathy;Mak,Grace;Gurden,Mark;Valenti,Melanie;DeHavenBrandon,Alexis;Henley,Alan;Baker,Ross;McAndrew,Craig;Matijssen,Berry;Burke,Rosemary;Hoelder,Swen;Eccles,SuzanneA.;Raynaud,FlorenceI.;Linardopoulos,Spiros;VanMontfort,RobL.M.;Blagg,Julian[JournalofMedicinalChemistry,2013,vol.56,#24,p.10045-10065]

[4]CurrentPatentAssignee:CANCERRESEARCHUK-US2013/345181,2013,A1

[5]CurrentPatentAssignee:GUANGDONGUNIVERSITYOFTECHNOLOGY-CN111909090,2020,A

Literature
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SDS
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Tags:121669-70-3 Molecular Formula|121669-70-3 MDL|121669-70-3 SMILES|121669-70-3 t-Butyl 4-iodopyrazole-1-carboxylate