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20320-43-8,MFCD01961578
Catalog No.:AA0028NW

20320-43-8 | 2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$202.00   $142.00
- +
5g
98%
in stock  
$583.00   $408.00
- +
10g
98%
in stock  
$964.00   $675.00
- +
25g
98%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0028NW
Chemical Name:
2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid
CAS Number:
20320-43-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01961578
SMILES:
O=C(c1ccccc1C(=O)O)N1CCCC1
NSC Number:
175204
Properties
Computed Properties
 
Complexity:
284  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Sato,Ippei;Morihira,Koichiro;Inami,Hiroshi;Kubota,Hirokazu;Morokata,Tatsuaki;Suzuki,Keiko;Iura,Yosuke;Nitta,Aiko;Imaoka,Takayuki;Takahashi,Toshiya;Takeuchi,Makoto;Ohta,Mitsuaki;Tsukamoto,Shin-ichi[BioorganicandMedicinalChemistry,2008,vol.16,#18,p.8607-8618]

[2]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-WO2008/7979,2008,A1Locationinpatent:Page/Pagecolumn15

[3]Annunziata,Rita;Cinquini,Mauro;Cozzi,Franco;Giaroni,Paola;Benaglia,Maurizio[Tetrahedron,1991,vol.47,#30,p.5737-5758]

908094-01-9    20320-43-8   
2-(Pyrrolidine-1-carbonyl)-benzoicacidmethylester 

[1]Annunziata,Rita;Cinquini,Mauro;Cozzi,Franco;Giaroni,Paola;Benaglia,Maurizio[Tetrahedron,1991,vol.47,#30,p.5737-5758]

[1]Roeske;Abraham[Synthesis,2001,#8,p.1125-1132]

[2]McCormick,JoanE.;McElhinney,R.Stanley;McMurry,T.BrianH.;O'Brien,JohnE.[Synthesis,2006,#6,p.983-988]

20320-43-8   
<i>N</i>-3-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethoxy-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyrimidin-1-yl)-propyl-2,2,2-trifluoro-acetamide 

[1]McCormick,JoanE.;McElhinney,R.Stanley;McMurry,T.BrianH.;O'Brien,JohnE.[Synthesis,2006,#6,p.983-988]

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:20320-43-8 Molecular Formula|20320-43-8 MDL|20320-43-8 SMILES|20320-43-8 2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid
Catalog No.: AA0028NW
20320-43-8,MFCD01961578
20320-43-8 | 2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid
Pack Size： 1g
Purity： 98%
in stock
$202.00 $142.00
Pack Size： 5g
Purity： 98%
in stock
$583.00 $408.00
Pack Size： 10g
Purity： 98%
in stock
$964.00 $675.00
Pack Size： 25g
Purity： 98%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0028NW
Chemical Name: 2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid
CAS Number: 20320-43-8
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365
MDL Number: MFCD01961578
SMILES: O=C(c1ccccc1C(=O)O)N1CCCC1
NSC Number: 175204
Properties
Complexity: 284  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
123-75-1    85-44-9    20320-43-8 

[1]Sato,Ippei;Morihira,Koichiro;Inami,Hiroshi;Kubota,Hirokazu;Morokata,Tatsuaki;Suzuki,Keiko;Iura,Yosuke;Nitta,Aiko;Imaoka,Takayuki;Takahashi,Toshiya;Takeuchi,Makoto;Ohta,Mitsuaki;Tsukamoto,Shin-ichi[BioorganicandMedicinalChemistry,2008,vol.16,#18,p.8607-8618]

[2]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-WO2008/7979,2008,A1Locationinpatent:Page/Pagecolumn15

[3]Annunziata,Rita;Cinquini,Mauro;Cozzi,Franco;Giaroni,Paola;Benaglia,Maurizio[Tetrahedron,1991,vol.47,#30,p.5737-5758]

908094-01-9    20320-43-8   
2-(Pyrrolidine-1-carbonyl)-benzoicacidmethylester 

[1]Annunziata,Rita;Cinquini,Mauro;Cozzi,Franco;Giaroni,Paola;Benaglia,Maurizio[Tetrahedron,1991,vol.47,#30,p.5737-5758]

20320-43-8    541-41-3    888493-95-6 

[1]Roeske;Abraham[Synthesis,2001,#8,p.1125-1132]

[2]McCormick,JoanE.;McElhinney,R.Stanley;McMurry,T.BrianH.;O'Brien,JohnE.[Synthesis,2006,#6,p.983-988]

20320-43-8   
<i>N</i>-3-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethoxy-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyrimidin-1-yl)-propyl-2,2,2-trifluoro-acetamide 

[1]McCormick,JoanE.;McElhinney,R.Stanley;McMurry,T.BrianH.;O'Brien,JohnE.[Synthesis,2006,#6,p.983-988]

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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