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38261-81-3,MFCD00013399
Catalog No.:AA003TY4

38261-81-3 | P-Toluenesulfonic acid (s)-2-methylbutyl ester

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$54.00   $38.00
- +
5g
>95.0%(GC)
in stock  
$78.00   $55.00
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25g
>95.0%(GC)
in stock  
$234.00   $164.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA003TY4
Chemical Name:
P-Toluenesulfonic acid (s)-2-methylbutyl ester
CAS Number:
38261-81-3
Molecular Formula:
C12H18O3S
Molecular Weight:
242.3345
MDL Number:
MFCD00013399
SMILES:
CC[C@@H](COS(=O)(=O)c1ccc(cc1)C)C
Properties
Properties
 
BP:
343.9°C at 760 mmHg  
Refractive Index:
1.5010-1.5040  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
284  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Mori,Kenji;Kamada,Atsushi;Kido,Masaru[LiebigsAnnalenderChemie,1991,#8,p.775-781]

[2]King,G.G.Skip;Gries,Regine;Gries,Gerhard;Slessor,K.N.[JournalofChemicalEcology,1995,vol.21,#12,p.2027-2046]

[3]Locationinpatent:experimentalpartMori,Kenji[Tetrahedron,2009,vol.65,#19,p.3900-3909]

[4]Mori,Kenji;Wu,Jiang[LiebigsAnnalenderChemie,1991,#3,p.213-217]

[5]Kitahara;Aono;Mori[Bioscience,BiotechnologyandBiochemistry,1995,vol.59,#1,p.78-82]

[6]Larpent,Patrick;Jouaiti,Abdelaziz;Kyritsakas,Nathalie;Hosseini,MirWais[ChemicalCommunications,2013,vol.49,#40,p.4468-4470]

[7]Lorca,Miguel;Kurosu,Michio[TetrahedronLetters,2001,vol.42,#13,p.2431-2434]

[8]Kelly,StephenM.;Buchecker,Richard[HelveticaChimicaActa,1988,vol.71,p.451-460]

[9]Lee,SengKue;Heo,Sung;Lee,JongGun;Kang,Kyung-Tae;Kumazawa,Kazuya;Nishida,Koushi;Shimbo,Yoshio;Takanishi,Yoichi;Watanabe,Junji;Doi,Takayuki;Takahashi,Takashi;Takezoe,Hideo[JournaloftheAmericanChemicalSociety,2005,vol.127,#31,p.11085-11091]

[10]Diener,Wolfgang;Frelek,Jadwiga;Snatzke,Guenther[CollectionofCzechoslovakChemicalCommunications,1991,vol.56,#5,p.954-965]

[11]CurrentPatentAssignee:DONGJINSEMICHEMCO.,LTD.-WO2006/25687,2006,A1Locationinpatent:Page/Pagecolumn18;19

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[17]CurrentPatentAssignee:LEADCHEMICALCO.,LTD.;LEADCHEM-US6348484,2002,B1Locationinpatent:Pagecolumn9-10

[18]Decobert,Guy;Dubois,Jean-Claude[MolecularCrystalsandLiquidCrystals(1969-1991),1984,vol.114,p.237-248]

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[20]Brückner,Reinhard;Drescher,Christian;Hamburger,Matthias;Keller,Morris;Potterat,Olivier[OrganicLetters,2020]

[21]Cochrane,StephenA.;Lohans,ChristopherT.;VanBelkum,MarcoJ.;Bels,ManonA.;Vederas,JohnC.[OrganicandBiomolecularChemistry,2015,vol.13,#21,p.6073-6081]

[22]Chen,Hongli;Chen,Xingguo;Lv,Wenjuan;Pan,Congjie;Wang,Guoxiu[ChemicalCommunications,2022,vol.58,#3,p.403-406]

[23]CurrentPatentAssignee:ISHIKAWACO.,LTD.;IHICORP.-US9779862,2017,B2Locationinpatent:Page/Pagecolumn12;13

[24]Anteunis,M.J.O.;Callens,R.;Witte,M.De;Reyniers,M.F.;Spiessens,L.[BulletindesSocietesChimiquesBelges,1987,vol.96,#7,p.545-554]

[25]Song,Shuang;Rudick,JonathanG.[OrganicLetters,2015,vol.17,#13,p.3244-3247]

[26]Casey;Martin[JournaloftheAmericanChemicalSociety,1972,vol.94,#17,p.6141-6151]

[27]Kirmse,W.;Arold,H.[ChemischeBerichte,1970,vol.103,p.23-26]Hahn,Bruce;Percec,Virgil[MolecularCrystalsandLiquidCrystals(1969-1991),1988,vol.157,p.125-150]Yoneyama,Koichi;Asami,Tadao;Crow,WilfridD.;Takahashi,Nobutaka;Yoshida,Shigeo[AgriculturalandBiologicalChemistry,1989,vol.53,#2,p.471-476]Boyle,CraigD.;Kishi,Yoshito[TetrahedronLetters,1995,vol.36,#26,p.4579-4582]Tachihara,Toru;Ishizaki,Susumu;Kurohayashi,Yoshiko;Tamura,Hiroshi;Ikemoto,Youichi;Onuma,Atsushi;Yoshikawa,Keisuke;Yanai,Tetsuya;Kitahara,Takeshi[HelveticaChimicaActa,2003,vol.86,#2,p.274-279]

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[30]Odinokov,V.N.;Akhmetova,V.R.;Khasanov,Kh.D.;Abduvakhabov,A.A.;Sul'tanmuratova,V.R.;Tolsikov,G.A.[JournalofOrganicChemistryUSSR(EnglishTranslation),1992,vol.28,#6.1,p.915-918][ZhurnalOrganicheskoiKhimii,1992,vol.28,#6,p.1173-1177]

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[33]Takikawa,Hirosato;Shirai,Yasuo;Kobayashi,Makoto;Mori,Kenji[LiebigsAnnalen,1996,#12,p.1965-1970]

[34]Hino,Kyoko;Maeda,Katsuhiro;Okamoto,Yoshio[JournalofPhysicalOrganicChemistry,2000,vol.13,#7,p.361-367]

[35]CurrentPatentAssignee:MERCKKGAA-US6534135,2003,B1

[36]CurrentPatentAssignee:MITSUICHEMICALS,INC.-US5725798,1998,A

[37]Locationinpatent:schemeortableMori,Kenji;Tashiro,Takuya[TetrahedronLetters,2009,vol.50,#26,p.3266-3269]Locationinpatent:schemeortableOcak,Hale;Bilgin-Eran,Belkiz;Tschierske,Carsten;Baumeister,Ute;Pelzl,Gerhard[JournalofMaterialsChemistry,2009,vol.19,#38,p.6995-7001]

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[1]Anteunis,M.J.O.;Callens,R.;Witte,M.De;Reyniers,M.F.;Spiessens,L.[BulletindesSocietesChimiquesBelges,1987,vol.96,#7,p.545-554]

[2]Anteunis,M.J.O.;Callens,R.;Witte,M.De;Reyniers,M.F.;Spiessens,L.[BulletindesSocietesChimiquesBelges,1987,vol.96,#7,p.545-554]

[3]Anteunis,M.J.O.;Callens,R.;Witte,M.De;Reyniers,M.F.;Spiessens,L.[BulletindesSocietesChimiquesBelges,1987,vol.96,#7,p.545-554]

[1]Anteunis,M.J.O.;Callens,R.;Witte,M.De;Reyniers,M.F.;Spiessens,L.[BulletindesSocietesChimiquesBelges,1987,vol.96,#7,p.545-554]

[1]LiebigsAnnalenderChemie,1991,p.775-781

629-11-8    38261-81-3   
(S)-6-(2-methylbutoxy)hexan-1-ol 

[1]CurrentPatentAssignee:DONGJINSEMICHEMCO.,LTD.-WO2006/25687,2006,A1Locationinpatent:Page/Pagecolumn20;21

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Tags:38261-81-3 Molecular Formula|38261-81-3 MDL|38261-81-3 SMILES|38261-81-3 P-Toluenesulfonic acid (s)-2-methylbutyl ester