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1878-81-5,MFCD00014363
Catalog No.:AA002GF1

1878-81-5 | 4-Acetylphenoxyacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
99%
in stock  
$36.00   $25.00
- +
5g
99%
in stock  
$58.00   $40.00
- +
25g
>98.0%(GC)(T)
in stock  
$155.00   $108.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002GF1
Chemical Name:
4-Acetylphenoxyacetic acid
CAS Number:
1878-81-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00014363
SMILES:
OC(=O)COc1ccc(cc1)C(=O)C
NSC Number:
9356
Properties
Properties
 
Form:
Solid  
MP:
175-177 °C (dec.)(lit.)  
Solubility:
methanol: soluble25mg/mL, clear, colorless to faintly yellow  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Lee,Kyeong;Lee,JeongHyung;Boovanahalli,ShanthaveerappaK.;Jin,Yinglan;Lee,Mijeoung;Jin,Xuejun;Kim,JinHwan;Hong,Young-Soo;Lee,JungJoon[JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684]

[2]CurrentPatentAssignee:KOREARESEARCHINSTITUTEOFBIOSCIENCEANDBIOTECHNOLOGY-WO2008/4798,2008,A1Locationinpatent:Page/Pagecolumn29;30

[3]CurrentPatentAssignee:KOREARESEARCHINSTITUTEOFBIOSCIENCEANDBIOTECHNOLOGY-US2009/306078,2009,A1Locationinpatent:Page/Pagecolumn26

[1]Castelino,PrakashAnil;Naik,Prashantha;Dasappa,JagadeeshPrasad;Sujayraj;SharathChandra;Chaluvaiah,Kumara;Nair,Ramya;SandyaKumari;Kalthur,Guruprasad;Adiga,SatishKumar[EuropeanJournalofMedicinalChemistry,2014,vol.84,p.194-199]

5407-57-8    1878-81-5   
2-(4-acetyl-phenoxy)-N-2-(7-chloro-quinolin-4-ylamino)-ethyl-acetamide 

[1]Raj,Raghu;Saini,Anu;Gut,Jiri;Rosenthal,PhilipJ.;Kumar,Vipan[EuropeanJournalofMedicinalChemistry,2015,vol.95,p.230-239]

1878-81-5    53186-45-1   
2-(4-acetyl-phenoxy)-N-4-(7-chloro-quinolin-4-ylamino)-butyl-acetamide 

[1]Raj,Raghu;Saini,Anu;Gut,Jiri;Rosenthal,PhilipJ.;Kumar,Vipan[EuropeanJournalofMedicinalChemistry,2015,vol.95,p.230-239]

1878-81-5    5373-87-5   
5-(4-acetylphenoxy)methyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole 

[1]Albayati,MustafaR.;Mohamed,MamdouhF.A.;Moustafa,AmrH.[SyntheticCommunications,2020,vol.50,#8,p.1217-1231]

Literature

Title: Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

Journal: Journal of medicinal chemistry 20040506

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SDS
Tags:1878-81-5 Molecular Formula|1878-81-5 MDL|1878-81-5 SMILES|1878-81-5 4-Acetylphenoxyacetic acid