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40203-94-9,MFCD00191535
Catalog No.:AA003CIG

40203-94-9 | (S)-2-Isocyanato-3-phenylpropionic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$19.00   $14.00
- +
1g
97%
in stock  
$81.00   $57.00
- +
5g
>97.0%(GC)
in stock  
$203.00   $142.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003CIG
Chemical Name:
(S)-2-Isocyanato-3-phenylpropionic acid methyl ester
CAS Number:
40203-94-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00191535
SMILES:
COC(=O)[C@H](Cc1ccccc1)N=C=O
Properties
Properties
 
Form:
Solid  
MP:
23℃  

Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Plattner;Marcotte;Kleinert;Stein;Greer;Bolis;Fung;Bopp;Luly;Sham;Kempf;Rosenberg;Dellaria;De;Merits;Perun[JournalofMedicinalChemistry,1988,vol.31,#12,p.2277-2288]

[2]Spyropoulos,Constantinos;Kokotos,ChristoforosG.[JournalofOrganicChemistry,2014,vol.79,#10,p.4477-4483]

[1]Plattner;Marcotte;Kleinert;Stein;Greer;Bolis;Fung;Bopp;Luly;Sham;Kempf;Rosenberg;Dellaria;De;Merits;Perun[JournalofMedicinalChemistry,1988,vol.31,#12,p.2277-2288]

[1]Groutas,W.C.;Brubaker,M.J.;Zandler,M.E.;Mazo-Gray,V.;Rude,S.A.;etal.[JournalofMedicinalChemistry,1986,vol.29,#7,p.1302-1305]

[1]Groutas,W.C.;Brubaker,M.J.;Zandler,M.E.;Mazo-Gray,V.;Rude,S.A.;etal.[JournalofMedicinalChemistry,1986,vol.29,#7,p.1302-1305]

109-83-1    40203-94-9   
(S)-2-3-(2-Hydroxy-ethyl)-3-methyl-ureido-3-phenyl-propionicacidmethylester 

[1]Plattner;Marcotte;Kleinert;Stein;Greer;Bolis;Fung;Bopp;Luly;Sham;Kempf;Rosenberg;Dellaria;De;Merits;Perun[JournalofMedicinalChemistry,1988,vol.31,#12,p.2277-2288]

Literature
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SDS
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Tags:40203-94-9 Molecular Formula|40203-94-9 MDL|40203-94-9 SMILES|40203-94-9 (S)-2-Isocyanato-3-phenylpropionic acid methyl ester