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22971-62-6,MFCD00151848
Catalog No.:AA002LNT

22971-62-6 | 5-Oxo-5-(thiophen-2-yl)pentanoic acid

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Purity
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Price(USD)
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1g
95%
in stock  
$27.00   $19.00
- +
5g
95%
in stock  
$65.00   $45.00
- +
25g
95%
in stock  
$202.00   $141.00
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100g
95%
in stock  
$579.00   $405.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002LNT
Chemical Name:
5-Oxo-5-(thiophen-2-yl)pentanoic acid
CAS Number:
22971-62-6
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD00151848
SMILES:
OC(=O)CCCC(=O)c1cccs1
NSC Number:
80412
Properties
Properties
 
BP:
407.8°C at 760 mmHg  
Form:
Solid  
MP:
94-97°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartPau,Amedeo;Murineddu,Gabriele;Asproni,Battistina;Murruzzu,Caterina;Grella,GiuseppeE.;Pinna,GerardA.;Curzu,MariaM.;Marchesi,Irene;Bagella,Luigi[Molecules,2009,vol.14,#9,p.3494-3508]

[2]Cagniant;Deluzarche[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1946,vol.222,p.1301]duVigneaudetal.[JournalofBiologicalChemistry,1942,vol.146,p.483]

[3]Cagniant;Cagniant[BulletindelaSocieteChimiquedeFrance,1955,p.680,684]

[4]CurrentPatentAssignee:MERCK&COINC-US4665090,1987,A

[5]Locationinpatent:schemeortableLakshminarayana;RajendraPrasad;Gharat,Laxmikant;Thomas,Abraham;Ravikumar;Narayanan,Shridhar;Srinivasan;Gopalan,Balasubramanian[EuropeanJournalofMedicinalChemistry,2009,vol.44,#8,p.3147-3157]

[6]Kang,Zhi-Yun;Zhang,Qing-Jian;Chen,Ruo-Yun;Zhang,Pei-Cheng;Yu,De-Quan[JournalofAsianNaturalProductsResearch,2013,vol.15,#8,p.840-848]

[1]JournalofMaterialsChemistry,2010,vol.20,p.3092-3097

[1]Junker,Anna;Yamaguchi,Junichiro;Itami,Kenichiro;Wünsch,Bernhard[JournalofOrganicChemistry,2013,vol.78,#11,p.5579-5586]

Literature
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SDS
Tags:22971-62-6 Molecular Formula|22971-62-6 MDL|22971-62-6 SMILES|22971-62-6 5-Oxo-5-(thiophen-2-yl)pentanoic acid