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192513-60-3,MFCD03001210
Catalog No.:AA002FYI

192513-60-3 | 2-Chloro-4-(1-pyrrolidinyl)benzenecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$47.00   $33.00
- +
250mg
97%
in stock  
$57.00   $40.00
- +
1g
97%
in stock  
$181.00   $127.00
- +
5g
97%
in stock  
$477.00   $334.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002FYI
Chemical Name:
2-Chloro-4-(1-pyrrolidinyl)benzenecarboxylic acid
CAS Number:
192513-60-3
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD03001210
SMILES:
OC(=O)c1ccc(cc1Cl)N1CCCC1
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Kondo;Ogawa;Shinohara;Kurimura;Tanada;Kan;Yamashita;Nakamura;Hirano;Yamamura;Mori;Tominaga;Itai[JournalofMedicinalChemistry,2000,vol.43,#23,p.4388-4397]

[2]Kondo,Kazumi;Kan,Keizo;Tanada,Yoshihisa;Bando,Masahiko;Shinohara,Tomoichi;Kurimura,Muneaki;Ogawa,Hidenori;Nakamura,Shigeki;Hirano,Takahiro;Yamamura,Yoshitaka;Kido,Masaru;Mori,Toyoki;Tominaga,Michiaki[JournalofMedicinalChemistry,2002,vol.45,#17,p.3805-3808]

[3]CurrentPatentAssignee:PIRAMALENTERPRISESLIMITED-WO2007/148158,2007,A1Locationinpatent:Page/Pagecolumn68

[4]CurrentPatentAssignee:KISSEIPHARMACEUTICALCOMPANYLIMITED-EP1867639,2007,A1Locationinpatent:Page/Pagecolumn55

[5]CurrentPatentAssignee:KISSEIPHARMACEUTICALCOMPANYLIMITED-EP1867639,2007,A1Locationinpatent:Page/Pagecolumn55

[6]Stockerl,Sebastian;Danelzik,Tobias;Piekarski,DariuszG.;GarcíaMancheño,Olga[OrganicLetters,2019,vol.21,#12,p.4535-4539]

[1]OrganicLetters,2019,vol.21,p.4535-4539

[2]BioorganicandMedicinalChemistry,2008,vol.16,p.9524-9535

[3]JournalofMedicinalChemistry,2000,vol.43,p.4388-4397

[4]Patent:EP1445253,2004,A1.Locationinpatent:Pagecolumn20

[1]Kondo,Kazumi;Kan,Keizo;Tanada,Yoshihisa;Bando,Masahiko;Shinohara,Tomoichi;Kurimura,Muneaki;Ogawa,Hidenori;Nakamura,Shigeki;Hirano,Takahiro;Yamamura,Yoshitaka;Kido,Masaru;Mori,Toyoki;Tominaga,Michiaki[JournalofMedicinalChemistry,2002,vol.45,#17,p.3805-3808]

[1]Kondo,Kazumi;Kan,Keizo;Tanada,Yoshihisa;Bando,Masahiko;Shinohara,Tomoichi;Kurimura,Muneaki;Ogawa,Hidenori;Nakamura,Shigeki;Hirano,Takahiro;Yamamura,Yoshitaka;Kido,Masaru;Mori,Toyoki;Tominaga,Michiaki[JournalofMedicinalChemistry,2002,vol.45,#17,p.3805-3808]

[1]Kondo,Kazumi;Kan,Keizo;Tanada,Yoshihisa;Bando,Masahiko;Shinohara,Tomoichi;Kurimura,Muneaki;Ogawa,Hidenori;Nakamura,Shigeki;Hirano,Takahiro;Yamamura,Yoshitaka;Kido,Masaru;Mori,Toyoki;Tominaga,Michiaki[JournalofMedicinalChemistry,2002,vol.45,#17,p.3805-3808]

Literature
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SDS
Tags:192513-60-3 Molecular Formula|192513-60-3 MDL|192513-60-3 SMILES|192513-60-3 2-Chloro-4-(1-pyrrolidinyl)benzenecarboxylic acid