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221381-89-1,MFCD00584781
Catalog No.:AA00BIDJ

221381-89-1 | Methyl 4-(2-oxopyrrolidin-1-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$211.00   $148.00
- +
5g
97%
in stock  
$610.00   $427.00
- +
25g
97%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BIDJ
Chemical Name:
Methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CAS Number:
221381-89-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00584781
SMILES:
COC(=O)c1ccc(cc1)N1CCCC1=O
Properties
Properties
 
Form:
Solid  
MP:
118-120℃(Solv: chloroform (67-66-3); ethyl ether (60-29-7))  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
282  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1640373,2006,A1Locationinpatent:Page/Pagecolumn18

[2]Klapars,Artis;Huang,Xiaohua;Buchwald,StephenL.[JournaloftheAmericanChemicalSociety,2002,vol.124,#25,p.7421-7428]

[3]Klapars;Antilla;Huang;Buchwald[JournaloftheAmericanChemicalSociety,2001,vol.123,#31,p.7727-7729]

[1]Cho,Er-Chieh;Liu,Chi-Yuan;Tang,Di-Wei;Lee,Hsueh-Yun[JournalofEnzymeInhibitionandMedicinalChemistry,2021,vol.36,#1,p.1387-1401]

[2]CurrentPatentAssignee:LIFESCIPHARMACEUTICALSINC;ATTUNEPHARMACEUTICALSINC-WO2015/103317,2015,A1Locationinpatent:Page/Pagecolumn191

[3]CurrentPatentAssignee:ABBVIEINC-US2010/160323,2010,A1Locationinpatent:Page/Pagecolumn33-34

[4]CurrentPatentAssignee:DRREDDY'SLABORATORIESLIMITED;ABBVIEINC-US2009/239810,2009,A1Locationinpatent:Page/Pagecolumn90

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:221381-89-1 Molecular Formula|221381-89-1 MDL|221381-89-1 SMILES|221381-89-1 Methyl 4-(2-oxopyrrolidin-1-yl)benzoate