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36039-36-8,MFCD08275583
Catalog No.:AA00BXYI

36039-36-8 | (2RS)-2-(4-ISOBUTYLPHENYL)PROPAN-1-OL

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250mg
95%
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$82.00   $57.00
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1g
95%
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$218.00   $153.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BXYI
Chemical Name:
(2RS)-2-(4-ISOBUTYLPHENYL)PROPAN-1-OL
CAS Number:
36039-36-8
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD08275583
SMILES:
OCC(c1ccc(cc1)CC(C)C)C
Properties
Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Zhou,Jian-Qiang;Alper,Howard[JournaloftheChemicalSociety.Chemicalcommunications,1991,#4,p.233-234]

[1]Friest,JacobA.;Maezato,Yukari;Broussy,Sylvain;Blum,Paul;Berkowitz,DavidB.[JournaloftheAmericanChemicalSociety,2010,vol.132,#17,p.5930-5931]

[2]Galletti,Paola;Emer,Enrico;Gucciardo,Gabriele;Quintavalla,Arianna;Pori,Matteo;Giacomini,Daria[OrganicandBiomolecularChemistry,2010,vol.8,#18,p.4117-4123]

[3]Tassano,Erika;Faber,Kurt;Hall,Mélanie[AdvancedSynthesisandCatalysis,2018,vol.360,#14,p.2742-2751]

[4]Neibecker,Denis;Reau,Regis;Lecolier,Serge[JournalofOrganicChemistry,1989,vol.54,#22,p.5208-5210]

[5]Chiarino;Ferrario;Pellacini;Sala[JournalofHeterocyclicChemistry,1989,vol.26,#3,p.589-593]

[6]Huang,Huan-Ming;Bellotti,Peter;Erchinger,JohannesE.;Paulisch,TiffanyO.;Glorius,Frank[JournaloftheAmericanChemicalSociety,2022,vol.144,#4,p.1899-1909]

[1]Rivera,Isaac;Colberg,JuanC.;Soderquist,JohnA.[TetrahedronLetters,1992,vol.33,#46,p.6919-6922]

[2]Li,Chunsheng;Chen,Huoji;Li,Jianxiao;Li,Meng;Liao,Jianhua;Wu,Wanqing;Jiang,Huanfeng[AdvancedSynthesisandCatalysis,2018,vol.360,#8,p.1600-1604]

[3]Akada,Mitsuo;Nakano,Shinji;Sugiyama,Toshiyuki;Ichitoh,Kazumoto;Nakao,Hiroki;etal.[BulletinoftheChemicalSocietyofJapan,1993,vol.66,#5,p.1511-1515]

[4]Galletti,Paola;Pori,Matteo;Funiciello,Federica;Soldati,Roberto;Ballardini,Alberto;Giacomini,Daria[ChemSusChem,2014,vol.7,#9,p.2684-2689]

[1]Wappes,EthanA.;Nakafuku,KohkiM.;Nagib,DavidA.[JournaloftheAmericanChemicalSociety,2017,vol.139,#30,p.10204-10207]

[2]Tassano,Erika;Faber,Kurt;Hall,Mélanie[AdvancedSynthesisandCatalysis,2018,vol.360,#14,p.2742-2751]

[3]Galletti,Paola;Emer,Enrico;Gucciardo,Gabriele;Quintavalla,Arianna;Pori,Matteo;Giacomini,Daria[OrganicandBiomolecularChemistry,2010,vol.8,#18,p.4117-4123]

[4]Dai,Xi-Jie;Li,Chao-Jun[JournaloftheAmericanChemicalSociety,2016,vol.138,#16,p.5433-5440]

[5]Neibecker,Denis;Reau,Regis;Lecolier,Serge[JournalofOrganicChemistry,1989,vol.54,#22,p.5208-5210]

[6]Szostak,Michal;Spain,Malcolm;Procter,DavidJ.[OrganicLetters,2012,vol.14,#3,p.840-843]

[7]Cui,Xinjiang;Li,Yuehui;Topf,Christoph;Junge,Kathrin;Beller,Matthias[AngewandteChemie-InternationalEdition,2015,vol.54,#36,p.10596-10599][Angew.Chem.,2015,vol.127,p.10742-10745,4]

[8]Chiarino;Ferrario;Pellacini;Sala[JournalofHeterocyclicChemistry,1989,vol.26,#3,p.589-593]

[9]CurrentPatentAssignee:PFIZERINC-US5194446,1993,A

[10]Galletti,Paola;Pori,Matteo;Funiciello,Federica;Soldati,Roberto;Ballardini,Alberto;Giacomini,Daria[ChemSusChem,2014,vol.7,#9,p.2684-2689]

[11]Barman,MilanK.;Das,Kuhali;Maji,Biplab[JournalofOrganicChemistry,2019,vol.84,#3,p.1570-1579]

[12]Delcaillau,Tristan;Falk,Eric;Gürtler,Laura;Makai,Szabolcs;Morandi,Bill[AngewandteChemie-InternationalEdition,2020,vol.59,#47,p.21064-21071][Angew.Chem.,2020,vol.132,#47,p.21250-21257,8]

[13]Kourounakis,Angeliki;Lambrinidis,George;Tzara,Ariadni[Molecules,2021,vol.26,#16]

[14]Huang,Huan-Ming;Bellotti,Peter;Erchinger,JohannesE.;Paulisch,TiffanyO.;Glorius,Frank[JournaloftheAmericanChemicalSociety,2022,vol.144,#4,p.1899-1909]

[1]Bodnar,BrianS.;Vogt,PaulF.[JournalofOrganicChemistry,2009,vol.74,#6,p.2598-2600]

[2]An,Jie;Work,D.Neil;Kenyon,Craig;Procter,DavidJ.[JournalofOrganicChemistry,2014,vol.79,#14,p.6743-6747]

[3]Szostak,Michal;Spain,Malcolm;Procter,DavidJ.[ChemicalCommunications,2011,vol.47,#37,p.10254-10256]

[4]Chiarino;Ferrario;Pellacini;Sala[JournalofHeterocyclicChemistry,1989,vol.26,#3,p.589-593]

[5]Basak,Amit;Nag,Ahindra;Bhattacharya,Gautam;Mandal,Subrata;Nag,Sikha[TetrahedronAsymmetry,2000,vol.11,#11,p.2403-2407]

[6]Szostak,Michal;Spain,Malcolm;Procter,DavidJ.[AngewandteChemie-InternationalEdition,2013,vol.52,#28,p.7237-7241][Angew.Chem.,2013,vol.125,#28,p.7378-7382]

[7]Delcaillau,Tristan;Falk,Eric;Gürtler,Laura;Makai,Szabolcs;Morandi,Bill[AngewandteChemie-InternationalEdition,2020,vol.59,#47,p.21064-21071][Angew.Chem.,2020,vol.132,#47,p.21250-21257,8]

[8]Chakraborty,Soumi;Das,Arpan;Mandal,SwadhinK.[ChemicalCommunications,2021,vol.57,#94,p.12671-12674]

Literature

Title: Timothy Lynagh, et al. Molecular Basis for Allosteric Inhibition of Acid-Sensing Ion Channel 1a by Ibuprofen. J Med Chem. 2017 Oct 12;60(19):8192-8200.

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Tags:36039-36-8 Molecular Formula|36039-36-8 MDL|36039-36-8 SMILES|36039-36-8 (2RS)-2-(4-ISOBUTYLPHENYL)PROPAN-1-OL