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221352-49-4,MFCD01321008
Catalog No.:AA00BCI5

221352-49-4 | Boc-(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$115.00   $80.00
- +
1g
≥ 98% (HPLC)
in stock  
$723.00   $506.00
- +
5g
≥ 98% (HPLC)
in stock  
$3,047.00   $2,133.00
- +
  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BCI5
Chemical Name:
Boc-(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid
CAS Number:
221352-49-4
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD01321008
SMILES:
OC(=O)[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)c1ccccc1
Properties
Properties
 
BP:
441.5°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
396  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.8  

Downstream Synthesis Route
221352-49-4   
(2S,5R)-2-Carbamoyl-5-phenyl-pyrrolidine-1-carboxylicacidtert-butylester 

[1]Wright,StephenW.;Ammirati,MarkJ.;Andrews,KimM.;Brodeur,AnneM.;Danley,DennisE.;Doran,ShawnD.;Lillquist,JayS.;McClure,LesterD.;McPherson,R.Kirk;Orena,StephenJ.;Parker,JaniceC.;Polivkova,Jana;Qiu,Xiayang;Soeller,WalterC.;Soglia,CarolynB.;Treadway,JudithL.;VanVolkenburg,MariaA.;Wang,Hong;Wilder,DonaldC.;Olson,ThanhV.[JournalofMedicinalChemistry,2006,vol.49,#11,p.3068-3076]

221352-49-4   
(2S)-pyrrolidine-2-carbonitrilehydrochloride 
 
(2S,5R)-2-((S)-2-Cyano-pyrrolidine-1-carbonyl)-5-phenyl-pyrrolidine-1-carboxylicacidtert-butylester 

[1]Pei,Zhonghua;Li,Xiaofeng;Longenecker,Kenton;VonGeldern,ThomasW.;Wiedeman,PaulE.;Lubben,ThomasH.;Zinker,BradleyA.;Stewart,Kent;Ballaron,StephenJ.;Stashko,MichaelA.;Mika,AmandaK.;Beno,DavidW.A.;Long,Michelle;Wells,Heidi;Kempf-Grote,AnitaJ.;Madar,DavidJ.;McDermott,ToddS.;Bhagavatula,Lakshmi;Fickes,MichaelG.;Pireh,Daisy;Solomon,LarryR.;Lake,MarcR.;Edalji,Rohinton;Fry,ElizabethH.;Sham,HingL.;Trevillyan,JamesM.[JournalofMedicinalChemistry,2006,vol.49,#12,p.3520-3535]

[1]Guo,Tao;Gu,Huizhong;Hobbs,DougW.;Rokosz,LauraL.;Stauffer,TaraM.;Jacob,Biji;Clader,JohnW.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#11,p.3010-3013]

[1]Guo,Tao;Gu,Huizhong;Hobbs,DougW.;Rokosz,LauraL.;Stauffer,TaraM.;Jacob,Biji;Clader,JohnW.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#11,p.3010-3013]

[1]Guo,Tao;Gu,Huizhong;Hobbs,DougW.;Rokosz,LauraL.;Stauffer,TaraM.;Jacob,Biji;Clader,JohnW.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#11,p.3010-3013]

Literature
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SDS
Tags:221352-49-4 Molecular Formula|221352-49-4 MDL|221352-49-4 SMILES|221352-49-4 Boc-(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid