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92847-41-1,MFCD01330895
Catalog No.:AA00687Q

92847-41-1 | 1-(3-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
97%
in stock  
$311.00   $218.00
- +
10g
97%
in stock  
$477.00   $334.00
- +
25g
97%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00687Q
Chemical Name:
1-(3-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
92847-41-1
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
MDL Number:
MFCD01330895
SMILES:
OC(=O)C1CC(=O)N(C1)c1cccc(c1)Cl
Properties
Properties
 
BP:
540.9±45.0 °C(Predicted)  
Form:
Solid  
MP:
135-136 °C  

Computed Properties
 
Complexity:
308  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Watanabe,S.;Ogawa,K.;Ohno,T.;Yano,S.;Yamada,H.;Shirasaka,T.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#9,p.675-686]

[2]Chang,Kang;Shi,Yanxia;Chen,Jianqin;He,Zenghui;Xu,Zheng;Zhao,Zhenjiang;Zhu,Weiping;Li,Honglin;Xu,Yufang;Li,Baoju;Qian,Xuhong[MedChemComm,2016,vol.7,#9,p.1849-1857]

[3]CurrentPatentAssignee:NATIONALCENTERFORGERIATRICSANDGERONTOLOGY-EP3275440,2018,A1Locationinpatent:Paragraph0118;0119

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/22818,2013,A1Locationinpatent:Paragraph00337

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2014/160668,2014,A1Locationinpatent:Page/Pagecolumn123

[6]Corte,JamesR.;Pinto,DonaldJ.P.;Fang,Tianan;Osuna,Honey;Yang,Wu;Wang,Yufeng;Lai,Amy;Clark,CharlesG.;Sun,Jung-Hui;Rampulla,Richard;Mathur,Arvind;Kaspady,Mahammed;Neithnadka,PremsaiRai;Li,Yi-XinCindy;Rossi,KarenA.;Myers,JosephE.;Sheriff,Steven;Lou,Zhen;Harper,TimothyW.;Huang,Christine;Zheng,JoannaJ.;Bozarth,JeffreyM.;Wu,Yiming;Wong,PancrasC.;Crain,EarlJ.;Seiffert,DietmarA.;Luettgen,JosephM.;Lam,PatrickY.S.;Wexler,RuthR.;Ewing,WilliamR.[JournalofMedicinalChemistry,2020,vol.63,#2,p.784-803]

[7]Paytashetal.[JournaloftheAmericanChemicalSociety,1950,vol.72,p.1415]

[8]Locationinpatent:schemeortablePackiarajan,Mathivanan;MazzaFerreira,ChristineG.;Hong,Sang-Phyo;White,AndrewD.;Chandrasena,Gamini;Pu,Xiaosui;Brodbeck,RobbinM.;Robichaud,AlbertJ.[BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5658-5662]

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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Tags:92847-41-1 Molecular Formula|92847-41-1 MDL|92847-41-1 SMILES|92847-41-1 1-(3-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid