Home Other Building Blocks 53487-52-8
53487-52-8,MFCD00060095
Catalog No.:AA003TY5

53487-52-8 | P-Toluenesulfonic acid 1-butyn-3-yl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$52.00   $36.00
- +
5g
>98.0%(GC)
in stock  
$203.00   $142.00
- +
25g
96%
in stock  
$909.00   $637.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003TY5
Chemical Name:
P-Toluenesulfonic acid 1-butyn-3-yl ester
CAS Number:
53487-52-8
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD00060095
SMILES:
CC(OS(=O)(=O)c1ccc(cc1)C)C#C
Properties
Properties
 
BP:
351.1°C at 760 mmHg  
Form:
Solid  
MP:
52°C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
336  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.1  

Downstream Synthesis Route
1-methyl-prop-2-ynylamine 
  53487-52-8    114723-23-8 

[1]Marszak-Fleury[AnnalesdeChimie(Cachan,France),1958,vol.<13>3,p.656,676][BulletindelaSocieteChimiquedeFrance,1958,p.490,492]

[1]CurrentPatentAssignee:UNIVERSITYOFMONTREAL;LOWCHOLSCIENT-US5436273,1995,A

[2]CurrentPatentAssignee:UNIVERSITYOFMONTREAL;LOWCHOLSCIENT-US5436273,1995,A

[3]Katayama,Asahi;Senboku,Hisanori;Hara,Shoji[Tetrahedron,2016,vol.72,#31,p.4626-4636]

[4]Roth,WolfgangR.;Staemmler,Volker;Neumann,Martin;Schmuck,Carsten[LiebigsAnnalen,1995,#6,p.1061-1118]

[5]Tanabe,Yoo;Yamamoto,Hitomi;Yoshida,Yoshihiro;Miyawaki,Takashi;Utsumi,Naoka[BulletinoftheChemicalSocietyofJapan,1995,vol.68,#1,p.297-300]

[6]Milne,Kirsty;Sun,Jianhui;Zaal,EstherA.;Mowat,Jenna;Celie,PatrickH.N.;Fish,Alexander;Berkers,CeliaR.;Forlani,Giuseppe;Loayza-Puch,Fabricio;Jamieson,Craig;Agami,Reuven[BioorganicandMedicinalChemistryLetters,2019,vol.29,#18,p.2626-2631]

[7]CurrentPatentAssignee:Schlichting;Klager-US2340701,1941,AReppeetal.[JustusLiebigsAnnalenderChemie,1955,vol.596,p.65]

[8]Marvell,E.N.etal.[JournaloftheAmericanChemicalSociety,1965,vol.87,p.1267-1274]

[9]Oh,HyuckKeun;Cho,InHo;Jin,MinJeong;Lee,Ikchoon[JournalofPhysicalOrganicChemistry,1994,vol.7,p.629-633]

[10]Locationinpatent:schemeortableBraverman,Samuel;Cherkinsky,Marina;Meridor,David;Sprecher,Milon[Tetrahedron,2010,vol.66,#10,p.1925-1930]

[11]CurrentPatentAssignee:STELLENBOSCHUNIVERSITY-WO2016/24240,2016,A1Locationinpatent:Page/Pagecolumn19;20

[1]Heimgartner,H.etal.[HelveticaChimicaActa,1972,vol.55,p.1113-1141]

[1]Heimgartner,H.etal.[HelveticaChimicaActa,1972,vol.55,p.1113-1141]

[1]Heimgartner,H.etal.[HelveticaChimicaActa,1972,vol.55,p.1113-1141]

Literature
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SDS
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