312-68-5,MFCD01658062
Catalog No.:AA00C25I

312-68-5 | 3-Fluoropropyl 4-methylbenzenesulfonate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$36.00   $25.00
- +
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$187.00   $131.00
- +
25g
98%
in stock  
$635.00 $445.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C25I
Chemical Name:
3-Fluoropropyl 4-methylbenzenesulfonate
CAS Number:
312-68-5
Molecular Formula:
C10H13FO3S
Molecular Weight:
232.2718
MDL Number:
MFCD01658062
SMILES:
FCCCOS(=O)(=O)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
263  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Howelletal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.3843,3845]

[2]Howelletal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.3843,3845]

[1]Costa,Briande;Radesca,Lilian;Dominguez,Celia;Paolo,LisaDi;Bowen,WayneD.[JournalofMedicinalChemistry,1992,vol.35,#12,p.2221-2230]

[2]Bouter,Caroline;Bouter,Yvonne;Breunig,Christian;Bucerius,Jan;Kremers,Sarah;Kreyenschmidt,Anne-Katrin;Mahardhika,AndhikaB.;Meller,Birgit;Modemann,DanielJ.;Sahlmann,Carsten-Oliver;Stalke,Dietmar;Wiltfang,Jens;Yamoune,Sabrina;Müller,ChristaE.;Maaß,Frederike[EuropeanJournalofMedicinalChemistry,2022,vol.232]

[3]CurrentPatentAssignee:EISAICOLTD-US2014/235614,2014,A1Locationinpatent:Paragraph0304;0305;0306

[4]Yakoub,Kirsten;Jung,Sascha;Sattler,Christian;Damerow,Helen;Weber,Judith;Kretzschmann,Annika;Cankaya,AylinS.;Piel,Markus;Rösch,Frank;Haugaard,AnneS.;Frølund,Bente;Schirmeister,Tanja;Lüddens,Hartmut[JournalofMedicinalChemistry,2018,vol.61,#5,p.1951-1968]

[5]Locationinpatent:experimentalpartFujinaga,Masayuki;Yamasaki,Tomoteru;Yui,Joji;Hatori,Akiko;Xie,Lin;Kawamura,Kazunori;Asagawa,Chiharu;Kumata,Katsushi;Yoshida,Yuichiro;Ogawa,Masanao;Nengaki,Nobuki;Fukumura,Toshimitsu;Zhang,Ming-Rong[JournalofMedicinalChemistry,2012,vol.55,#5,p.2342-2352]

[6]CurrentPatentAssignee:UNIVERSITYOFMICHIGAN;ELILILLY&CO;UNIVERSITYOFPENNSYLVANIA-WO2007/130365,2007,A2Locationinpatent:Page/Pagecolumn49-50

[7]Cai,Huawei;He,Qian;Li,Yunchun;Pan,Lili;Wang,Yuxi;Wu,Xiaoai;Wu,Yi;Yang,Bo;Zhang,Ni[BioorganicandMedicinalChemistryLetters,2022,vol.59]

[8]Cai,Huawei;He,Qian;Li,Yunchun;Pan,Lili;Wang,Yuxi;Wu,Xiaoai;Wu,Yi;Yang,Bo;Zhang,Ni[BioorganicandMedicinalChemistryLetters,2022,vol.59]

[9]Tian,Haibin;Vogel,Rebecca;Amici,Louis;Tamagnan,Gilles;Baldwin,RonaldM.[Journaloflabelledcompoundsandradiopharmaceuticals,2006,vol.49,#14,p.1247-1258]

[10]Radeke,HeikeS.;Purohit,Ajay;Harris,ThomasD.;Hanson,Kelley;Jones,Reinaldo;Hu,Carol;Yalamanchili,Padmaja;Hayes,Megan;Yu,Ming;Guaraldi,Mary;Kagan,Mikhail;Azure,Michael;Cdebaca,Michael;Robinson,Simon;Casebier,David[ACSMedicinalChemistryLetters,2011,vol.2,#9,p.650-655]

[11]Millington;Pattison[CanadianJournalofChemistry,1956,vol.34,p.15321533,1537]

[12]Michel,K.;Matter,M.[HelveticaChimicaActa,1961,vol.44,p.1025-1030]

[13]CurrentPatentAssignee:ABBVIEINC-WO2006/40176,2006,A1Locationinpatent:Page/Pagecolumn96

[14]CurrentPatentAssignee:BAYERAG-US2004/97522,2004,A1

[15]CurrentPatentAssignee:GENERALELECTRICCO-US2009/110636,2009,A1Locationinpatent:Page/Pagecolumn22

[16]CurrentPatentAssignee:ABBVIEINC-WO2006/40182,2006,A1Locationinpatent:Page/Pagecolumn107

[17]Tiwari,AnjaniK.;Fujinaga,Masayuki;Yui,Joji;Yamasaki,Tomoteru;Xie,Lin;Kumata,Katsushi;Mishra,AnilK.;Shimoda,Yoko;Hatori,Akiko;Ji,Bin;Ogawa,Masanao;Kawamura,Kazunori;Wang,Feng;Zhang,Ming-Rong[OrganicandBiomolecularChemistry,2014,vol.12,#47,p.9621-9630]

[18]CurrentPatentAssignee:GENERALELECTRICCO-US2009/111990,2009,A1Locationinpatent:Page/Pagecolumn21-22

[1]Wagner,PeterJ.;Thomas,MichaelJ.;Puchalski,AllenE.[JournaloftheAmericanChemicalSociety,1986,vol.108,#24,p.7739-7744]

[1]ChemicalandPharmaceuticalBulletin,1990,vol.38,p.1740-1742

[1]Costa,Briande;Radesca,Lilian;Dominguez,Celia;Paolo,LisaDi;Bowen,WayneD.[JournalofMedicinalChemistry,1992,vol.35,#12,p.2221-2230]

Literature
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Additional Info:
SDS
Tags:312-68-5 Molecular Formula|312-68-5 MDL|312-68-5 SMILES|312-68-5 3-Fluoropropyl 4-methylbenzenesulfonate
Catalog No.: AA00C25I
312-68-5,MFCD01658062
312-68-5 | 3-Fluoropropyl 4-methylbenzenesulfonate
Pack Size: 250mg
Purity: 95%
in stock
$36.00 $25.00
Pack Size: 1g
Purity: 98%
in stock
$79.00 $55.00
Pack Size: 5g
Purity: 98%
in stock
$187.00 $131.00
Pack Size: 25g
Purity: 98%
in stock
$635.00 $445.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C25I
Chemical Name: 3-Fluoropropyl 4-methylbenzenesulfonate
CAS Number: 312-68-5
Molecular Formula: C10H13FO3S
Molecular Weight: 232.2718
MDL Number: MFCD01658062
SMILES: FCCCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity: 263  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Rotatable Bond Count: 5  
XLogP3: 2.1  
Downstream Synthesis Route
312-68-5    333-20-0    408-00-4 

[1]Howelletal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.3843,3845]

[2]Howelletal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.3843,3845]

462-43-1    98-59-9    312-68-5 

[1]Costa,Briande;Radesca,Lilian;Dominguez,Celia;Paolo,LisaDi;Bowen,WayneD.[JournalofMedicinalChemistry,1992,vol.35,#12,p.2221-2230]

[2]Bouter,Caroline;Bouter,Yvonne;Breunig,Christian;Bucerius,Jan;Kremers,Sarah;Kreyenschmidt,Anne-Katrin;Mahardhika,AndhikaB.;Meller,Birgit;Modemann,DanielJ.;Sahlmann,Carsten-Oliver;Stalke,Dietmar;Wiltfang,Jens;Yamoune,Sabrina;Müller,ChristaE.;Maaß,Frederike[EuropeanJournalofMedicinalChemistry,2022,vol.232]

[3]CurrentPatentAssignee:EISAICOLTD-US2014/235614,2014,A1Locationinpatent:Paragraph0304;0305;0306

[4]Yakoub,Kirsten;Jung,Sascha;Sattler,Christian;Damerow,Helen;Weber,Judith;Kretzschmann,Annika;Cankaya,AylinS.;Piel,Markus;Rösch,Frank;Haugaard,AnneS.;Frølund,Bente;Schirmeister,Tanja;Lüddens,Hartmut[JournalofMedicinalChemistry,2018,vol.61,#5,p.1951-1968]

[5]Locationinpatent:experimentalpartFujinaga,Masayuki;Yamasaki,Tomoteru;Yui,Joji;Hatori,Akiko;Xie,Lin;Kawamura,Kazunori;Asagawa,Chiharu;Kumata,Katsushi;Yoshida,Yuichiro;Ogawa,Masanao;Nengaki,Nobuki;Fukumura,Toshimitsu;Zhang,Ming-Rong[JournalofMedicinalChemistry,2012,vol.55,#5,p.2342-2352]

[6]CurrentPatentAssignee:UNIVERSITYOFMICHIGAN;ELILILLY&CO;UNIVERSITYOFPENNSYLVANIA-WO2007/130365,2007,A2Locationinpatent:Page/Pagecolumn49-50

[7]Cai,Huawei;He,Qian;Li,Yunchun;Pan,Lili;Wang,Yuxi;Wu,Xiaoai;Wu,Yi;Yang,Bo;Zhang,Ni[BioorganicandMedicinalChemistryLetters,2022,vol.59]

[8]Cai,Huawei;He,Qian;Li,Yunchun;Pan,Lili;Wang,Yuxi;Wu,Xiaoai;Wu,Yi;Yang,Bo;Zhang,Ni[BioorganicandMedicinalChemistryLetters,2022,vol.59]

[9]Tian,Haibin;Vogel,Rebecca;Amici,Louis;Tamagnan,Gilles;Baldwin,RonaldM.[Journaloflabelledcompoundsandradiopharmaceuticals,2006,vol.49,#14,p.1247-1258]

[10]Radeke,HeikeS.;Purohit,Ajay;Harris,ThomasD.;Hanson,Kelley;Jones,Reinaldo;Hu,Carol;Yalamanchili,Padmaja;Hayes,Megan;Yu,Ming;Guaraldi,Mary;Kagan,Mikhail;Azure,Michael;Cdebaca,Michael;Robinson,Simon;Casebier,David[ACSMedicinalChemistryLetters,2011,vol.2,#9,p.650-655]

[11]Millington;Pattison[CanadianJournalofChemistry,1956,vol.34,p.15321533,1537]

[12]Michel,K.;Matter,M.[HelveticaChimicaActa,1961,vol.44,p.1025-1030]

[13]CurrentPatentAssignee:ABBVIEINC-WO2006/40176,2006,A1Locationinpatent:Page/Pagecolumn96

[14]CurrentPatentAssignee:BAYERAG-US2004/97522,2004,A1

[15]CurrentPatentAssignee:GENERALELECTRICCO-US2009/110636,2009,A1Locationinpatent:Page/Pagecolumn22

[16]CurrentPatentAssignee:ABBVIEINC-WO2006/40182,2006,A1Locationinpatent:Page/Pagecolumn107

[17]Tiwari,AnjaniK.;Fujinaga,Masayuki;Yui,Joji;Yamasaki,Tomoteru;Xie,Lin;Kumata,Katsushi;Mishra,AnilK.;Shimoda,Yoko;Hatori,Akiko;Ji,Bin;Ogawa,Masanao;Kawamura,Kazunori;Wang,Feng;Zhang,Ming-Rong[OrganicandBiomolecularChemistry,2014,vol.12,#47,p.9621-9630]

[18]CurrentPatentAssignee:GENERALELECTRICCO-US2009/111990,2009,A1Locationinpatent:Page/Pagecolumn21-22

312-68-5    41865-47-8    2248-17-1 

[1]Wagner,PeterJ.;Thomas,MichaelJ.;Puchalski,AllenE.[JournaloftheAmericanChemicalSociety,1986,vol.108,#24,p.7739-7744]

312-68-5    42429-27-6    130485-85-7 

[1]ChemicalandPharmaceuticalBulletin,1990,vol.38,p.1740-1742

312-68-5    138356-10-2    141044-74-8 

[1]Costa,Briande;Radesca,Lilian;Dominguez,Celia;Paolo,LisaDi;Bowen,WayneD.[JournalofMedicinalChemistry,1992,vol.35,#12,p.2221-2230]

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