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21609-70-1,MFCD00090357
Catalog No.:AA00BHNF

21609-70-1 | 3,4-Dihydrobenzo[b]thiepin-5(2H)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97
2 weeks  
$247.00   $173.00
- +
2mg
97
2 weeks  
$268.00   $188.00
- +
3mg
97
2 weeks  
$299.00   $209.00
- +
5mg
97
2 weeks  
$320.00   $224.00
- +
10mg
97
2 weeks  
$349.00   $244.00
- +
1g
97%
2 weeks  
$839.00   $587.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BHNF
Chemical Name:
3,4-Dihydrobenzo[b]thiepin-5(2H)-one
CAS Number:
21609-70-1
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
MDL Number:
MFCD00090357
SMILES:
O=C1CCCSc2c1cccc2
NSC Number:
403933
Properties
Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Orlov,V.D.;Mikhed'kina,E.I.;Lavrushin,V.F.[JournalofgeneralchemistryoftheUSSR,1982,vol.52,#1,p.115-122][ZhurnalObshcheiKhimii,1982,vol.52,#1,p.126-134]

[2]Traynelis;Love[Chemistryandindustry,1958,p.439][JournalofOrganicChemistry,1961,vol.26,p.2728,2732]

[3]Locationinpatent:schemeortablePackiarajan,Mathivanan;Marzabadi,MohammadR.;Desai,Mahesh;Lu,Yalei;Noble,StewartA.;Wong,WaiC.;Jubian,Vrej;Chandrasena,Gamini;Wolinsky,ToniD.;Zhong,Hualing;Walker,MaryW.;Wiborg,Ove.;Andersen,Kim[BioorganicandMedicinalChemistryLetters,2011,vol.21,#18,p.5436-5441]

[1]JournalofgeneralchemistryoftheUSSR,1964,vol.34,p.3417-3421    ZhurnalObshcheiKhimii,1964,vol.34,p.3375-3380

[1]ArchivderPharmazieundBerichtederDeutschenPharmazeutischenGesellschaft,1967,vol.300,p.829-839

[1]RSCAdvances,2013,vol.3,p.4704-4715

[1]RSCAdvances,2013,vol.3,p.19300-19310

Literature

Title: Novel synthesis of [1]-benzothiepino[5,4-b]pyridine-3-carbonitriles and their anti-inflammatory properties.

Journal: Bioorganic & medicinal chemistry 20070315

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SDS
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Tags:21609-70-1 Molecular Formula|21609-70-1 MDL|21609-70-1 SMILES|21609-70-1 3,4-Dihydrobenzo[b]thiepin-5(2H)-one