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95333-95-2,MFCD04037332
Catalog No.:AA003HZ4

95333-95-2 | 3-(3,5-Dichloro-phenyl)-propionic acid

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100mg
97%
in stock  
$6.00   $4.00
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250mg
97%
in stock  
$8.00   $6.00
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1g
97%
in stock  
$16.00   $11.00
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5g
97%
in stock  
$47.00   $33.00
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25g
97%
in stock  
$161.00   $113.00
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100g
97%
in stock  
$533.00   $373.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HZ4
Chemical Name:
3-(3,5-Dichloro-phenyl)-propionic acid
CAS Number:
95333-95-2
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD04037332
SMILES:
OC(=O)CCc1cc(Cl)cc(c1)Cl
Properties
Properties
 
BP:
336.6°C at 760 mmHg  
Form:
Solid  
MP:
56-60°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
175  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1987,vol.30,p.486-494

[2]JournalofMedicinalChemistry,2003,vol.46,p.409-416

[3]Patent:US4992459,1991,A

[4]Patent:US4707488,1987,A

[5]Patent:US6288120,2001,B1

[1]Kruse;Kaiser;DeWolfJr.;Frazee;Ross;Wawro;Wise;Flaim;Sawyer;Erickson[JournalofMedicinalChemistry,1987,vol.30,#3,p.486-494]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US4707488,1987,A

[3]CurrentPatentAssignee:PFIZERINC-US6288120,2001,B1

[4]CurrentPatentAssignee:PFIZERINC-US6344485,2002,B1

95333-95-2    376584-00-8   
(+/-)-4-3-3-(3,5-dichlorophenyl)propanoylamino}-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-5-ylbenzamide 

[1]Churcher,Ian;Ashton,Kate;Butcher,JohnW;Clarke,EarlE;Harrison,Timothy;Lewis,HuwD;Owens,AndrewP;Teall,MartinR;Williams,Susie;Wrigley,JonathanDJ[Bioorganicandmedicinalchemistryletters,2003,vol.13,#2,p.179-183]

95333-95-2   
3-(3,5-dichloro-phenyl)-propionylchloride 

[1]Musso,DavidL.;Orr,G.Faye;Cochran,FeliciaR.;Kelley,JamesL.;Selph,JeffreyL.;Rigdon,GregC.;Cooper,BarrettR.;Jones,MichaelL.[JournalofMedicinalChemistry,2003,vol.46,#3,p.409-416]

[2]Pennetreau,Florence;Riant,Olivier;Hermans,Sophie[Chemistry-AEuropeanJournal,2014,vol.20,#46,p.15009-15012]

[3]Zhang,Xin;Liu,Qiang;Zhang,Na;Li,Qian–Qian;Liu,Zhan–Dong;Li,Ying–Hong;Gao,Li–Mei;Wang,You–Chun;Deng,Hong–Bin;Song,Dan–Qing[EuropeanJournalofMedicinalChemistry,2018,vol.149,p.45-55]

[4]Wang,Kun;Wu,Jia-Jing;Xin–Zhang;Zeng,Qing-Xuan;Zhang,Na;Huang,Wei-Jin;Tang,Sheng;Wang,Yan-Xiang;Kong,Wei-Jia;Wang,You-Chun;Li,Ying-Hong;Song,Dan-Qing[BioorganicChemistry,2021,vol.115]

[1]Sharma,AnilK.;Subramani,AmuthaV.;Gorman,ChristopherB.[Tetrahedron,2007,vol.63,#2,p.389-395]

Literature
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