4221-99-2,MFCD00064281
Catalog No.:AA003CDP

4221-99-2 | (S)-(+)-2-Butanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$13.00   $9.00
- +
1g
98%
in stock  
$35.00   $25.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003CDP
Chemical Name:
(S)-(+)-2-Butanol
CAS Number:
4221-99-2
Molecular Formula:
C4H10O
Molecular Weight:
74.1216
MDL Number:
MFCD00064281
SMILES:
CC[C@@H](O)C
Properties
Properties
 
BP:
99-100 °C(lit.)  
Form:
Liquid  
MP:
-114 °C  
Refractive Index:
n20/D 1.397(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
19.6  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Zhang,Junjie;Wang,Huanxia;Ma,Yun;Wang,Youming;Zhou,Zhenghong;Tang,Chuchi[TetrahedronLetters,2013,vol.54,#18,p.2261-2263]

[2]Letsingeretal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.2373]

[3]Heldreth,Bart;Long,TimothyE.;Jang,Seyoung;Reddy,G.SureshKumar;Turos,Edward;Dickey,Sonja;Lim,DanielV.[BioorganicandMedicinalChemistry,2006,vol.14,#11,p.3775-3784]

[1]Cambou,Bernard;Klibanov,AlexanderM.[JournaloftheAmericanChemicalSociety,1984,vol.106,#9,p.2687-2692]

[2]Ingersoll[1944,vol.2,p.403]Sprung;Wallis[JournaloftheAmericanChemicalSociety,1934,vol.56,p.1715,1719]Viditz[BiochemischeZeitschrift,1933,vol.259,p.294,297,298]

[3]Rometsch;Kuhn[HelveticaChimicaActa,1946,vol.29,p.1485,1487]

[4]Bailey;Hass[JournaloftheAmericanChemicalSociety,1941,vol.63,p.1969]

[5]Stevensetal.[JournaloftheAmericanChemicalSociety,1955,vol.77,p.2341]Hoffmannetal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.5817,5819]Kantor;Hauser[JournaloftheAmericanChemicalSociety,1953,vol.75,p.1744]

[6]Pickard;Kenyon[JournaloftheChemicalSociety,1914,vol.105,p.852,864,876]Pickard;Kenyon[JournaloftheChemicalSociety,1913,vol.103,p.1940,1935][JournaloftheChemicalSociety,1911,vol.99,p.55,64]

[1]CurrentPatentAssignee:BLUEOAKPHARMACEUTICALSINC;BLUEOAKPHARMACEUTICALS-WO2021/138314,2021,A1Locationinpatent:Paragraph0165;0197

[2]Lightner;Zhang[Tetrahedron,1988,vol.44,#15,p.4679-4688]

[3]Grant;Hickinbottom[JournaloftheChemicalSociety,1959,p.2520,2522]

[4]Kjaer,A.etal.[ActachemicaScandinavica.SeriesB:Organicchemistryandbiochemistry,1976,vol.30,p.137-140]Salvadori,P.etal.[GazzettaChimicaItaliana,1968,vol.98,p.1400-1416]

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/101546,2004,A1Locationinpatent:Page27

[6]Locationinpatent:schemeortableMeziane,Dalila;Hardouin,Julie;Elias,Abdelhamid;Guenin,Erwann;Lecouvey,Marc[HeteroatomChemistry,2009,vol.20,#6,p.369-377]

[7]Ralph,Glenn;Biscoe,MarkR.[Organometallics,2019,vol.38,#20,p.3912-3915]

[8]CurrentPatentAssignee:BLUEOAKPHARMACEUTICALS;BLUEOAKPHARMACEUTICALSINC-WO2021/138315,2021,A1Locationinpatent:Paragraph0326

[1]Locationinpatent:schemeortableShi,Wei;Nacev,BenjaminA.;Bhat,Shridhar;Liu,JunO.[ACSMedicinalChemistryLetters,2010,vol.1,#4,p.155-159]

[2]Liu,Yin;Gong,Yanjun;Guo,Yongxian;Xiong,Wei;Zhang,Yifan;Zhao,Jincai;Che,Yanke;Manners,Ian[Chemistry-AEuropeanJournal,2019,vol.25,#59,p.13484-13490]

[3]Takeoka,Yuko;Saito,Fumihiko;Rikukawa,Masahiro[Langmuir,2013,vol.29,#27,p.8718-8727]

[4]Umemura,Kazuyuki;Matsuyama,Haruo;Kamigata,Nobumasa[BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2593-2600]

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

[6]Bergman,Jan;Norrby,Per-Ola;Sand,Peter[Tetrahedron,1990,vol.46,#17,p.6113-6124]

[7]Kenyon;Phillips;Pittman[JournaloftheChemicalSociety,1935,p.1079]

[8]Fodor,G.etal.[JournalofOrganicChemistry,1974,vol.39,p.1507-1516]

[9]Valentine,AnnM.;Wilkinson,Barrie;Liu,KatherineE.;Komar-Panicucci,Sonja;Priestley,NigelD.;Williams,PhilipG.;Morimoto,Hiromi;Floss,HeinzG.;Lippard,StephenJ.[JournaloftheAmericanChemicalSociety,1997,vol.119,#8,p.1818-1827]

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

[11]Schlaepfer-Daehler,Marlise;Heimgartner,Heinz[HelveticaChimicaActa,1990,vol.73,#8,p.2275-2286]

[12]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US6346518,2002,B1

[13]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US5998413,1999,A

[14]CurrentPatentAssignee:MERCK&COINC-EP539938,1993,A1

[15]Taguri,Tomonori;Yamamoto,Masanobu;Fujii,Toru;Muraki,Yuta;Ando,Tetsu[EuropeanJournalofOrganicChemistry,2013,#30,p.6924-6933]

[16]Ma,Xiaojie;Zhang,Yibin;Zheng,Yingxuan;Zhang,Yifan;Tao,Xia;Che,Yanke;Zhao,Jincai[ChemicalCommunications,2015,vol.51,#20,p.4231-4233]Guo,Yongxian;Liu,Yin;Gong,Yanjun;Xiong,Wei;Zhang,Chuang;Zhao,Jincai;Che,Yanke[Chemistry-AEuropeanJournal,2019,vol.25,#31,p.7463-7468]

[17]Lu,Chen;Zhang,Qiang;Chen,Xin[SyntheticCommunications,2016,vol.46,#14,p.1215-1222]

Literature

Title: Enantioselective HF loss promoted by resonant two-photon ionization of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol clusters.

Journal: The journal of physical chemistry. A 20091231

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SDS
Tags:4221-99-2 Molecular Formula|4221-99-2 MDL|4221-99-2 SMILES|4221-99-2 (S)-(+)-2-Butanol
Catalog No.: AA003CDP
4221-99-2,MFCD00064281
4221-99-2 | (S)-(+)-2-Butanol
Pack Size: 250mg
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 1g
Purity: 98%
in stock
$35.00 $25.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003CDP
Chemical Name: (S)-(+)-2-Butanol
CAS Number: 4221-99-2
Molecular Formula: C4H10O
Molecular Weight: 74.1216
MDL Number: MFCD00064281
SMILES: CC[C@@H](O)C
Properties
BP: 99-100 °C(lit.)  
Form: Liquid  
MP: -114 °C  
Refractive Index: n20/D 1.397(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 19.6  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 5  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
4221-99-2    22157-31-9 

[1]Zhang,Junjie;Wang,Huanxia;Ma,Yun;Wang,Youming;Zhou,Zhenghong;Tang,Chuchi[TetrahedronLetters,2013,vol.54,#18,p.2261-2263]

[2]Letsingeretal.[JournaloftheAmericanChemicalSociety,1951,vol.73,p.2373]

[3]Heldreth,Bart;Long,TimothyE.;Jang,Seyoung;Reddy,G.SureshKumar;Turos,Edward;Dickey,Sonja;Lim,DanielV.[BioorganicandMedicinalChemistry,2006,vol.14,#11,p.3775-3784]

15892-23-6    4221-99-2 

[1]Cambou,Bernard;Klibanov,AlexanderM.[JournaloftheAmericanChemicalSociety,1984,vol.106,#9,p.2687-2692]

[2]Ingersoll[1944,vol.2,p.403]Sprung;Wallis[JournaloftheAmericanChemicalSociety,1934,vol.56,p.1715,1719]Viditz[BiochemischeZeitschrift,1933,vol.259,p.294,297,298]

[3]Rometsch;Kuhn[HelveticaChimicaActa,1946,vol.29,p.1485,1487]

[4]Bailey;Hass[JournaloftheAmericanChemicalSociety,1941,vol.63,p.1969]

[5]Stevensetal.[JournaloftheAmericanChemicalSociety,1955,vol.77,p.2341]Hoffmannetal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.5817,5819]Kantor;Hauser[JournaloftheAmericanChemicalSociety,1953,vol.75,p.1744]

[6]Pickard;Kenyon[JournaloftheChemicalSociety,1914,vol.105,p.852,864,876]Pickard;Kenyon[JournaloftheChemicalSociety,1913,vol.103,p.1940,1935][JournaloftheChemicalSociety,1911,vol.99,p.55,64]

4221-99-2    124-63-0    50599-13-8 

[1]CurrentPatentAssignee:BLUEOAKPHARMACEUTICALSINC;BLUEOAKPHARMACEUTICALS-WO2021/138314,2021,A1Locationinpatent:Paragraph0165;0197

[2]Lightner;Zhang[Tetrahedron,1988,vol.44,#15,p.4679-4688]

[3]Grant;Hickinbottom[JournaloftheChemicalSociety,1959,p.2520,2522]

[4]Kjaer,A.etal.[ActachemicaScandinavica.SeriesB:Organicchemistryandbiochemistry,1976,vol.30,p.137-140]Salvadori,P.etal.[GazzettaChimicaItaliana,1968,vol.98,p.1400-1416]

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/101546,2004,A1Locationinpatent:Page27

[6]Locationinpatent:schemeortableMeziane,Dalila;Hardouin,Julie;Elias,Abdelhamid;Guenin,Erwann;Lecouvey,Marc[HeteroatomChemistry,2009,vol.20,#6,p.369-377]

[7]Ralph,Glenn;Biscoe,MarkR.[Organometallics,2019,vol.38,#20,p.3912-3915]

[8]CurrentPatentAssignee:BLUEOAKPHARMACEUTICALS;BLUEOAKPHARMACEUTICALSINC-WO2021/138315,2021,A1Locationinpatent:Paragraph0326

4221-99-2    98-59-9    50896-54-3 

[1]Locationinpatent:schemeortableShi,Wei;Nacev,BenjaminA.;Bhat,Shridhar;Liu,JunO.[ACSMedicinalChemistryLetters,2010,vol.1,#4,p.155-159]

[2]Liu,Yin;Gong,Yanjun;Guo,Yongxian;Xiong,Wei;Zhang,Yifan;Zhao,Jincai;Che,Yanke;Manners,Ian[Chemistry-AEuropeanJournal,2019,vol.25,#59,p.13484-13490]

[3]Takeoka,Yuko;Saito,Fumihiko;Rikukawa,Masahiro[Langmuir,2013,vol.29,#27,p.8718-8727]

[4]Umemura,Kazuyuki;Matsuyama,Haruo;Kamigata,Nobumasa[BulletinoftheChemicalSocietyofJapan,1990,vol.63,p.2593-2600]

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

[6]Bergman,Jan;Norrby,Per-Ola;Sand,Peter[Tetrahedron,1990,vol.46,#17,p.6113-6124]

[7]Kenyon;Phillips;Pittman[JournaloftheChemicalSociety,1935,p.1079]

[8]Fodor,G.etal.[JournalofOrganicChemistry,1974,vol.39,p.1507-1516]

[9]Valentine,AnnM.;Wilkinson,Barrie;Liu,KatherineE.;Komar-Panicucci,Sonja;Priestley,NigelD.;Williams,PhilipG.;Morimoto,Hiromi;Floss,HeinzG.;Lippard,StephenJ.[JournaloftheAmericanChemicalSociety,1997,vol.119,#8,p.1818-1827]

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

[11]Schlaepfer-Daehler,Marlise;Heimgartner,Heinz[HelveticaChimicaActa,1990,vol.73,#8,p.2275-2286]

[12]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US6346518,2002,B1

[13]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US5998413,1999,A

[14]CurrentPatentAssignee:MERCK&COINC-EP539938,1993,A1

[15]Taguri,Tomonori;Yamamoto,Masanobu;Fujii,Toru;Muraki,Yuta;Ando,Tetsu[EuropeanJournalofOrganicChemistry,2013,#30,p.6924-6933]

[16]Ma,Xiaojie;Zhang,Yibin;Zheng,Yingxuan;Zhang,Yifan;Tao,Xia;Che,Yanke;Zhao,Jincai[ChemicalCommunications,2015,vol.51,#20,p.4231-4233]Guo,Yongxian;Liu,Yin;Gong,Yanjun;Xiong,Wei;Zhang,Chuang;Zhao,Jincai;Che,Yanke[Chemistry-AEuropeanJournal,2019,vol.25,#31,p.7463-7468]

[17]Lu,Chen;Zhang,Qiang;Chen,Xin[SyntheticCommunications,2016,vol.46,#14,p.1215-1222]

Literature fold

Title: Enantioselective HF loss promoted by resonant two-photon ionization of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol clusters.

Journal: The journal of physical chemistry. A20091231

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