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Home Amines 60442-41-3
60442-41-3,MFCD00030282
Catalog No.:AA003Q00

60442-41-3 | Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
500mg
1 week  
$329.00   $230.00
- +
1g
>95%
1 week  
$514.00   $360.00
- +
5g
>95%
1 week  
$1,112.00   $779.00
- +
10g
>95%
1 week  
$1,710.00   $1,197.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003Q00
Chemical Name:
Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number:
60442-41-3
Molecular Formula:
C13H16ClNO3S
Molecular Weight:
301.7890
MDL Number:
MFCD00030282
SMILES:
CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCC2
Properties
Computed Properties
 
Complexity:
353  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Kuhnert,Maren;Köster,Helene;Bartholomäus,Ruben;Park,AhYoung;Shahim,Amir;Heine,Andreas;Steuber,Holger;Klebe,Gerhard;Diederich,WibkeE.[AngewandteChemie-InternationalEdition,2015,vol.54,#9,p.2849-2853][Angew.Chem.,2015,vol.127,#9,p.2891-2896,6]

[2]Perrissin;Duc;Narcisse;etal.[EuropeanJournalofMedicinalChemistry,1980,vol.15,#5,p.413-418]

[3]Gadad,AK;Kumar,Hemant;Shishoo,CJ;Khazi,IM;Mahajanshetti,CS[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1994,vol.33,p.298-301]

[4]Sauter;Stanetty;Potuzak[ArchivderPharmazie,1976,vol.309,#11,p.914-919]

[1]Gadad,AK;Kumar,Hemant;Shishoo,CJ;Khazi,IM;Mahajanshetti,CS[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1994,vol.33,p.298-301]

[2]CurrentPatentAssignee:PFIZERINC-WO2003/101979,2003,A1Locationinpatent:Page18

[3]Perrissin;Duc;Narcisse;etal.[EuropeanJournalofMedicinalChemistry,1980,vol.15,#5,p.413-418]

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

22876-19-3    60442-41-3   
2-2-(5-chloro-benzooxazol-2-ylsulfanyl)-acetylamino-4,5,6,7-tetrahydro-benzo<i>b</i>thiophene-3-carboxylicacidethylester 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,2005,vol.180,p.1841-1848

60442-41-3    22876-22-8   
2-2-(5-methyl-benzooxazol-2-ylsulfanyl)-acetylamino-4,5,6,7-tetrahydro-benzo<i>b</i>thiophene-3-carboxylicacidethylester 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,2005,vol.180,p.1841-1848

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Tags:60442-41-3 Molecular Formula|60442-41-3 MDL|60442-41-3 SMILES|60442-41-3 Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate