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596817-06-0,MFCD23703205
Catalog No.:AA00F2RD

596817-06-0 | (2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
2 weeks  
$222.00   $155.00
- +
250mg
97%
2 weeks  
$329.00   $230.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00F2RD
Chemical Name:
(2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
CAS Number:
596817-06-0
Molecular Formula:
C7H8ClFN2O
Molecular Weight:
190.6026
MDL Number:
MFCD23703205
SMILES:
F[C@@H]1CN([C@@H](C1)C#N)C(=O)CCl
Properties
Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route
596817-06-0    95034-05-2   
tert-butyl2-({2-(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl-2-oxoethyl}amino)-2-methylpropylcarbamate 

[1]Fukushima,Hiroshi;Hiratate,Akira;Takahashi,Masato;Mikami,Ayako;Saito-Hori,Masako;Munetomo,Eiji;Kitano,Kiyokazu;Chonan,Sumi;Saito,Hidetaka;Suzuki,Akio;Takaoka,Yuji;Yamamoto,Koji[BioorganicandMedicinalChemistry,2008,vol.16,#7,p.4093-4106]

[2]CurrentPatentAssignee:TAISHOPHARMACEUTICALHOLDINGSCO.,LTD.-EP1627870,2006,A1Locationinpatent:Page/Pagecolumn19-20

596817-06-0    52568-28-2   
(2S,4S)-2-cyano-4-fluoro-1-1-(pyridin-2-yl)-1-methylethylaminoacetylpyrrolidine 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.4093-4106

Literature
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SDS
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Tags:596817-06-0 Molecular Formula|596817-06-0 MDL|596817-06-0 SMILES|596817-06-0 (2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
Catalog No.: AA00F2RD
596817-06-0,MFCD23703205
596817-06-0 | (2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
Pack Size： 100mg
Purity： 97%
2 weeks
$222.00 $155.00
Pack Size： 250mg
Purity： 97%
2 weeks
$329.00 $230.00
Quantity
- +
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Technical Information
Catalog Number: AA00F2RD
Chemical Name: (2S,4S)-1-(2-Chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
CAS Number: 596817-06-0
Molecular Formula: C7H8ClFN2O
Molecular Weight: 190.6026
MDL Number: MFCD23703205
SMILES: F[C@@H]1CN([C@@H](C1)C#N)C(=O)CCl
Properties
Complexity: 237  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
596817-06-0    95034-05-2   
tert-butyl2-({2-(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl-2-oxoethyl}amino)-2-methylpropylcarbamate 

[1]Fukushima,Hiroshi;Hiratate,Akira;Takahashi,Masato;Mikami,Ayako;Saito-Hori,Masako;Munetomo,Eiji;Kitano,Kiyokazu;Chonan,Sumi;Saito,Hidetaka;Suzuki,Akio;Takaoka,Yuji;Yamamoto,Koji[BioorganicandMedicinalChemistry,2008,vol.16,#7,p.4093-4106]

[2]CurrentPatentAssignee:TAISHOPHARMACEUTICALHOLDINGSCO.,LTD.-EP1627870,2006,A1Locationinpatent:Page/Pagecolumn19-20

596817-06-0    52568-28-2   
(2S,4S)-2-cyano-4-fluoro-1-1-(pyridin-2-yl)-1-methylethylaminoacetylpyrrolidine 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.4093-4106

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