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Home Oxazoles 87691-89-2
87691-89-2,MFCD08060968
Catalog No.:AA003HWU

87691-89-2 | 3-Piperazin-1-yl-1,2-benzisoxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$211.00   $148.00
- +
1g
95%
in stock  
$610.00   $427.00
- +
5g
95%
in stock  
$2,007.00   $1,405.00
- +
10g
95%
in stock  
$3,303.00   $2,312.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HWU
Chemical Name:
3-Piperazin-1-yl-1,2-benzisoxazole
CAS Number:
87691-89-2
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD08060968
SMILES:
N1CCN(CC1)c1noc2c1cccc2
Properties
Properties
 
BP:
387.818°C at 760 mmHg  
Form:
Solid  
MP:
71-73°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1986,vol.29,p.359-369

[2]Patent:WO2004/37820,2004,A1.Locationinpatent:Page39

[1]Singer,JamieM.;Barr,BridgetM.;Coughenour,LindaL.;Gregory,TracyF.;Walters,MichaelA.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#20,p.4560-4563]

[1]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.4560-4563

[1]JournalofMedicinalChemistry,1986,vol.29,p.359-369

(R,S)-(3-{1-(indan-1-yl)carbonylpiperazin-4-yl}-1,2-benzisoxazole 
  14381-42-1    87691-89-2   
(R,S)-3-{1-(indan-1-yl)methylpiperazin-4-yl}-1,2-benzisoxazole 

[1]CurrentPatentAssignee:ADIR-US5173490,1992,A

Literature

Title: New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives with atypical antipsychotic binding profile.

Journal: European journal of medicinal chemistry 20020901

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SDS
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