18773-54-1,MFCD22575206
Catalog No.:AA002GE5

18773-54-1 | 4-Methyl-n,n-di-2-propyn-1-ylbenzenesulfonamide

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100mg
95%
in stock  
$32.00   $23.00
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250mg
95%
in stock  
$55.00   $39.00
- +
500mg
95%
in stock  
$102.00   $71.00
- +
1g
95%
in stock  
$144.00   $101.00
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5g
95%
in stock  
$513.00   $359.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002GE5
Chemical Name:
4-Methyl-n,n-di-2-propyn-1-ylbenzenesulfonamide
CAS Number:
18773-54-1
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD22575206
SMILES:
C#CCN(S(=O)(=O)c1ccc(cc1)C)CC#C
NSC Number:
310275
Properties
Computed Properties
 
Complexity:
417  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route
201230-82-2    29681-57-0    18773-54-1   
5,6-Bis-(tert-butyl-dimethyl-silanyloxy)-2-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole 

[1]JournaloftheAmericanChemicalSociety,1993,vol.115,p.11614-11615

[1]Sato;Nishimata;Mori[JournalofOrganicChemistry,1994,vol.59,#21,p.6133-6135]

[2]Sato,Yoshihiro;Nishimata,Toyoki;Mori,Miwako[Heterocycles,1997,vol.44,#1,p.443-457]

[1]Yang,Jin-Ming;Tang,Xiang-Ying;Wei,Yin;Shi,Min[AdvancedSynthesisandCatalysis,2013,vol.355,#18,p.3545-3552]

[2]Lee,Jihong;Kim,KyungHwan;Lee,OkSuk;Choi,Tae-Lim;Lee,Hee-Seung;Ihee,Hyotcherl;Sohn,Jeong-Hun[JournalofOrganicChemistry,2016,vol.81,#17,p.7591-7596]

[3]Vila,Jordi;Vinardell,Roger;Solà,Miquel;Pla-Quintana,Anna;Roglans,Anna[AdvancedSynthesisandCatalysis,2022,vol.364,#1,p.206-217]

[4]Hashmi,A.StephenK.;Haeffner,Tobias;Rudolph,Matthias;Rominger,Frank[Chemistry-AEuropeanJournal,2011,vol.17,#29,p.8195-8201]

[5]Trost,BarryM.;Rudd,MichaelT.[JournaloftheAmericanChemicalSociety,2005,vol.127,#13,p.4763-4776]

[6]Greau,Sandra;Radetich,Branko;Rajanbabu[JournaloftheAmericanChemicalSociety,2000,vol.122,#35,p.8579-8580]

[7]Artigas,Albert;Vila,Jordi;Lledó,Agustí;Solà,Miquel;Pla-Quintana,Anna;Roglans,Anna[OrganicLetters,2019,vol.21,#17,p.6608-6613]

[8]Artigas,Albert;Castanyer,Cristina;Lledó,Agustí;Pla-Quintana,Anna;Roglans,Anna;Roig,Nil;Solà,Miquel[AdvancedSynthesisandCatalysis,2021,vol.363,#15,p.3835-3844]

[9]Richard,Vincent;Ipouck,Melinda;Merel,DelphineS.;Gaillard,Sylvain;Whitby,RichardJ.;Witulski,Bernhard;Renaud,Jean-Luc[ChemicalCommunications,2014,vol.50,#5,p.593-595]

[10]Moulin,Solenne;Dentel,Helene;Pagnoux-Ozherelyeva,Anastassiya;Gaillard,Sylvain;Poater,Albert;Cavallo,Luigi;Lohier,Jean-Francois;Renaud,Jean-Luc[Chemistry-AEuropeanJournal,2013,vol.19,#52,p.17881-17890]

[11]Zhang,Di-Han;Yao,Liang-Feng;Wei,Yin;Shi,Min[AngewandteChemie-InternationalEdition,2011,vol.50,#11,p.2583-2587]

[12]CurrentPatentAssignee:SANOFI-WO2015/54317,2015,A1Locationinpatent:Paragraph0280;0281

[13]Kothandaraman,Prasath;Zhao,Yichao;Lee,BoRa;LeNg,ClarrisaJia;Lee,JunYi;Ayers,BenjaminJames;Chan,PhilipWaiHong[AdvancedSynthesisandCatalysis,2016,vol.358,#9,p.1385-1391]

[14]Wood,JamesM.;Satam,NishikantS.;Almeida,RenataG.;Cristani,ViniciusS.;deLima,DênisP.;Dantas-Pereira,Luiza;Salomão,Kelly;Menna-Barreto,RubemF.S.;Namboothiri,IrishiN.N.;Bower,JohnF.;daSilvaJúnior,EufrânioN.[BioorganicandMedicinalChemistry,2020,vol.28,#15]

[15]Cao,Tongxiang;Chen,Kai;Lu,Jiajun;Ma,Jun;Wu,Rui;Zhu,Shifa[JournaloftheAmericanChemicalSociety,2021,vol.143,#36,p.14916-14925]

[16]Rassadin;Nicolas;Six[ChemicalCommunications,2014,vol.50,#57,p.7666-7669]

[17]Crudden,CathleenM.;Maekawa,Yuuki;Clarke,JoshuaJ.;Ida,Tomohide;Fukumoto,Yoshiya;Chatani,Naoto;Murai,Shinji[OrganicLetters,2020,vol.22,#22,p.8747-8751]

[18]Oppolzer,Wolfgang;Pimm,Austen;Stammen,Blanda;Hume,W.Ewan[HelveticaChimicaActa,1997,vol.80,#3,p.623-639]

[19]Locationinpatent:schemeortableZhang,Yu-Xin;Guo,Lin;Wang,Ya-Hui;Zhu,Li-Li;Chen,Zi-Li[SynthesisandReactivityinInorganic,Metal-Organic,andNano-MetalChemistry,2010,vol.40,#4,p.241-245]

[20]Locationinpatent:schemeortableZhu,Zhi-Bin;Shi,Min[OrganicLetters,2010,vol.12,#20,p.4462-4465]

[21]Shi,Yi;Gevorgyan,Vladimir[OrganicLetters,2013,vol.15,#20,p.5394-5396]

[22]Parsons,PhilipJ.;Jones,DanielR.;Padgham,AlexC.;Allen,LewisA.T.;Penkett,CliveS.;Green,RobertA.;White,AndrewJ.P.[Chemistry-AEuropeanJournal,2016,vol.22,#12,p.3981-3984]

[23]Ghorai,Sourav;Lee,Daesung[Tetrahedron,2017,vol.73,#29,p.4062-4069]

[24]Zhang,Qian;Liang,Qiu-Ju;Xu,Jian-Lin;Xu,Yun-He;Loh,Teck-Peng[ChemicalCommunications,2018,vol.54,#19,p.2357-2360]

[25]CurrentPatentAssignee:ANHUINORMALUNIVERSITY-CN109879791,2019,ALocationinpatent:Paragraph0034;0038

[1]Oppolzer,Wolfgang;Pimm,Austen;Stammen,Blanda;Hume,W.Ewan[HelveticaChimicaActa,1997,vol.80,#3,p.623-639]

[2]Trost,BarryM.;Rudd,MichaelT.[JournaloftheAmericanChemicalSociety,2005,vol.127,#13,p.4763-4776]

[3]Trost,BarryM.;Rudd,MichaelT.[JournaloftheAmericanChemicalSociety,2002,vol.124,#16,p.4178-4179]

[4]Zhang,Di-Han;Yao,Liang-Feng;Wei,Yin;Shi,Min[AngewandteChemie-InternationalEdition,2011,vol.50,#11,p.2583-2587]

201230-82-2    18773-54-1   
C27H26N2O5S2 

[1]Hong,SoonHyeok;Kim,JongWook;Choi,DaiSeung;Chung,YoungKeun;Lee,Sueg-Geun[ChemicalCommunications,1999,#20,p.2099-2100]

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Tags:18773-54-1 Molecular Formula|18773-54-1 MDL|18773-54-1 SMILES|18773-54-1 4-Methyl-n,n-di-2-propyn-1-ylbenzenesulfonamide
Catalog No.: AA002GE5
18773-54-1,MFCD22575206
18773-54-1 | 4-Methyl-n,n-di-2-propyn-1-ylbenzenesulfonamide
Pack Size: 100mg
Purity: 95%
in stock
$32.00 $23.00
Pack Size: 250mg
Purity: 95%
in stock
$55.00 $39.00
Pack Size: 500mg
Purity: 95%
in stock
$102.00 $71.00
Pack Size: 1g
Purity: 95%
in stock
$144.00 $101.00
Pack Size: 5g
Purity: 95%
in stock
$513.00 $359.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA002GE5
Chemical Name: 4-Methyl-n,n-di-2-propyn-1-ylbenzenesulfonamide
CAS Number: 18773-54-1
Molecular Formula: C13H13NO2S
Molecular Weight: 247.3128
MDL Number: MFCD22575206
SMILES: C#CCN(S(=O)(=O)c1ccc(cc1)C)CC#C
NSC Number: 310275
Properties
Complexity: 417  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
201230-82-2    29681-57-0    18773-54-1   
5,6-Bis-(tert-butyl-dimethyl-silanyloxy)-2-(toluene-4-sulfonyl)-2,3-dihydro-1H-isoindole 

[1]JournaloftheAmericanChemicalSociety,1993,vol.115,p.11614-11615

18773-54-1    74-86-2    32372-83-1 

[1]Sato;Nishimata;Mori[JournalofOrganicChemistry,1994,vol.59,#21,p.6133-6135]

[2]Sato,Yoshihiro;Nishimata,Toyoki;Mori,Miwako[Heterocycles,1997,vol.44,#1,p.443-457]

70-55-3    106-96-7    18773-54-1 

[1]Yang,Jin-Ming;Tang,Xiang-Ying;Wei,Yin;Shi,Min[AdvancedSynthesisandCatalysis,2013,vol.355,#18,p.3545-3552]

[2]Lee,Jihong;Kim,KyungHwan;Lee,OkSuk;Choi,Tae-Lim;Lee,Hee-Seung;Ihee,Hyotcherl;Sohn,Jeong-Hun[JournalofOrganicChemistry,2016,vol.81,#17,p.7591-7596]

[3]Vila,Jordi;Vinardell,Roger;Solà,Miquel;Pla-Quintana,Anna;Roglans,Anna[AdvancedSynthesisandCatalysis,2022,vol.364,#1,p.206-217]

[4]Hashmi,A.StephenK.;Haeffner,Tobias;Rudolph,Matthias;Rominger,Frank[Chemistry-AEuropeanJournal,2011,vol.17,#29,p.8195-8201]

[5]Trost,BarryM.;Rudd,MichaelT.[JournaloftheAmericanChemicalSociety,2005,vol.127,#13,p.4763-4776]

[6]Greau,Sandra;Radetich,Branko;Rajanbabu[JournaloftheAmericanChemicalSociety,2000,vol.122,#35,p.8579-8580]

[7]Artigas,Albert;Vila,Jordi;Lledó,Agustí;Solà,Miquel;Pla-Quintana,Anna;Roglans,Anna[OrganicLetters,2019,vol.21,#17,p.6608-6613]

[8]Artigas,Albert;Castanyer,Cristina;Lledó,Agustí;Pla-Quintana,Anna;Roglans,Anna;Roig,Nil;Solà,Miquel[AdvancedSynthesisandCatalysis,2021,vol.363,#15,p.3835-3844]

[9]Richard,Vincent;Ipouck,Melinda;Merel,DelphineS.;Gaillard,Sylvain;Whitby,RichardJ.;Witulski,Bernhard;Renaud,Jean-Luc[ChemicalCommunications,2014,vol.50,#5,p.593-595]

[10]Moulin,Solenne;Dentel,Helene;Pagnoux-Ozherelyeva,Anastassiya;Gaillard,Sylvain;Poater,Albert;Cavallo,Luigi;Lohier,Jean-Francois;Renaud,Jean-Luc[Chemistry-AEuropeanJournal,2013,vol.19,#52,p.17881-17890]

[11]Zhang,Di-Han;Yao,Liang-Feng;Wei,Yin;Shi,Min[AngewandteChemie-InternationalEdition,2011,vol.50,#11,p.2583-2587]

[12]CurrentPatentAssignee:SANOFI-WO2015/54317,2015,A1Locationinpatent:Paragraph0280;0281

[13]Kothandaraman,Prasath;Zhao,Yichao;Lee,BoRa;LeNg,ClarrisaJia;Lee,JunYi;Ayers,BenjaminJames;Chan,PhilipWaiHong[AdvancedSynthesisandCatalysis,2016,vol.358,#9,p.1385-1391]

[14]Wood,JamesM.;Satam,NishikantS.;Almeida,RenataG.;Cristani,ViniciusS.;deLima,DênisP.;Dantas-Pereira,Luiza;Salomão,Kelly;Menna-Barreto,RubemF.S.;Namboothiri,IrishiN.N.;Bower,JohnF.;daSilvaJúnior,EufrânioN.[BioorganicandMedicinalChemistry,2020,vol.28,#15]

[15]Cao,Tongxiang;Chen,Kai;Lu,Jiajun;Ma,Jun;Wu,Rui;Zhu,Shifa[JournaloftheAmericanChemicalSociety,2021,vol.143,#36,p.14916-14925]

[16]Rassadin;Nicolas;Six[ChemicalCommunications,2014,vol.50,#57,p.7666-7669]

[17]Crudden,CathleenM.;Maekawa,Yuuki;Clarke,JoshuaJ.;Ida,Tomohide;Fukumoto,Yoshiya;Chatani,Naoto;Murai,Shinji[OrganicLetters,2020,vol.22,#22,p.8747-8751]

[18]Oppolzer,Wolfgang;Pimm,Austen;Stammen,Blanda;Hume,W.Ewan[HelveticaChimicaActa,1997,vol.80,#3,p.623-639]

[19]Locationinpatent:schemeortableZhang,Yu-Xin;Guo,Lin;Wang,Ya-Hui;Zhu,Li-Li;Chen,Zi-Li[SynthesisandReactivityinInorganic,Metal-Organic,andNano-MetalChemistry,2010,vol.40,#4,p.241-245]

[20]Locationinpatent:schemeortableZhu,Zhi-Bin;Shi,Min[OrganicLetters,2010,vol.12,#20,p.4462-4465]

[21]Shi,Yi;Gevorgyan,Vladimir[OrganicLetters,2013,vol.15,#20,p.5394-5396]

[22]Parsons,PhilipJ.;Jones,DanielR.;Padgham,AlexC.;Allen,LewisA.T.;Penkett,CliveS.;Green,RobertA.;White,AndrewJ.P.[Chemistry-AEuropeanJournal,2016,vol.22,#12,p.3981-3984]

[23]Ghorai,Sourav;Lee,Daesung[Tetrahedron,2017,vol.73,#29,p.4062-4069]

[24]Zhang,Qian;Liang,Qiu-Ju;Xu,Jian-Lin;Xu,Yun-He;Loh,Teck-Peng[ChemicalCommunications,2018,vol.54,#19,p.2357-2360]

[25]CurrentPatentAssignee:ANHUINORMALUNIVERSITY-CN109879791,2019,ALocationinpatent:Paragraph0034;0038

18773-54-1    67-64-1    191861-43-5 

[1]Oppolzer,Wolfgang;Pimm,Austen;Stammen,Blanda;Hume,W.Ewan[HelveticaChimicaActa,1997,vol.80,#3,p.623-639]

[2]Trost,BarryM.;Rudd,MichaelT.[JournaloftheAmericanChemicalSociety,2005,vol.127,#13,p.4763-4776]

[3]Trost,BarryM.;Rudd,MichaelT.[JournaloftheAmericanChemicalSociety,2002,vol.124,#16,p.4178-4179]

[4]Zhang,Di-Han;Yao,Liang-Feng;Wei,Yin;Shi,Min[AngewandteChemie-InternationalEdition,2011,vol.50,#11,p.2583-2587]

201230-82-2    18773-54-1   
C27H26N2O5S2 

[1]Hong,SoonHyeok;Kim,JongWook;Choi,DaiSeung;Chung,YoungKeun;Lee,Sueg-Geun[ChemicalCommunications,1999,#20,p.2099-2100]

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