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Home Amines 117391-57-8
117391-57-8,MFCD00462884
Catalog No.:AA000E4X

117391-57-8 | 3-Amino-3-(3,4-dichloro-phenyl)-propionic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
95%
in stock  
$145.00   $102.00
- +
1g
95%
in stock  
$252.00   $177.00
- +
2.5g
95%
in stock  
$529.00   $370.00
- +
5g
95%
in stock  
$949.00   $664.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000E4X
Chemical Name:
3-Amino-3-(3,4-dichloro-phenyl)-propionic acid
CAS Number:
117391-57-8
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD00462884
SMILES:
OC(=O)CC(c1ccc(c(c1)Cl)Cl)N
Properties
Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.7  

Downstream Synthesis Route

[1]Ashton,MichaelJ.;Hills,SusanJ.;Newton,ChristopherG.;Taylor,JohnB.;Tondu,SylvieC.D.[Heterocycles,1989,vol.28,#2,p.1015-1035]

[1]Adams,James;Anderson,EdwardC.;Blackham,EmmaE.;Chiu,YinWaRyan;Clarke,Thomas;Eccles,Natasha;Gill,LukeA.;Haye,JoshuaJ.;Haywood,HarveyT.;Hoenig,ChristianR.;Kausas,Marius;Le,Joelle;Russell,HannahL.;Smedley,Christopher;Tipping,WilliamJ.;Tongue,Tom;Wood,CharlotteC.;Yeung,Jason;Rowedder,JamesE.;Fray,M.Jonathan;McInally,Thomas;Macdonald,SimonJ.F.[ACSMedicinalChemistryLetters,2014,vol.5,#11,p.1207-1212]

[2]Ashton,MichaelJ.;Hills,SusanJ.;Newton,ChristopherG.;Taylor,JohnB.;Tondu,SylvieC.D.[Heterocycles,1989,vol.28,#2,p.1015-1035]

[3]Rault,Sylvain;Dallemagne,Patrick;Robba,Max[BulletindelaSocieteChimiquedeFrance,1987,#6,p.1079-1083]

[4]Muller;Corral;Shire;Wang;Moreira;Kaplan;Stirling[JournalofMedicinalChemistry,1996,vol.39,#17,p.3238-3240]

[5]Zhao,Dongmei;Sun,Bin;Ren,Jinhong;Li,Fengrong;Song,Shuai;Lv,Xuejiao;Hao,Chenzhou;Cheng,Maosheng[BioorganicandMedicinalChemistry,2015,vol.23,#6,p.1356-1365]

[1]Rault,Sylvain;Dallemagne,Patrick;Robba,Max[BulletindelaSocieteChimiquedeFrance,1987,#6,p.1079-1083]

22509-74-6    117391-57-8   
3-phthalimido-3-(3',4'-dichlorophenyl)propionicacid 

[1]Muller;Corral;Shire;Wang;Moreira;Kaplan;Stirling[JournalofMedicinalChemistry,1996,vol.39,#17,p.3238-3240]

117391-57-8   
3-phthalimido-3-(3',4'-dichlorophenyl)propionamide 

[1]Muller;Corral;Shire;Wang;Moreira;Kaplan;Stirling[JournalofMedicinalChemistry,1996,vol.39,#17,p.3238-3240]

Literature
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