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Home Fluorides 35504-85-9
35504-85-9,MFCD01656421
Catalog No.:AA007ASM

35504-85-9 | (E)-4-(4-Fluorophenyl)-4-oxobut-2-enoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$23.00   $16.00
- +
250mg
97%
in stock  
$38.00   $27.00
- +
1g
97%
in stock  
$109.00   $76.00
- +
5g
97%
in stock  
$482.00   $337.00
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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:
AA007ASM
Chemical Name:
(E)-4-(4-Fluorophenyl)-4-oxobut-2-enoic acid
CAS Number:
35504-85-9
Molecular Formula:
C10H7FO3
Molecular Weight:
194.1592
MDL Number:
MFCD01656421
SMILES:
O=C(c1ccc(cc1)F)/C=C/C(=O)O
Properties
Computed Properties
 
Complexity:
252  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Bianchi,Mario;Butti,Alina;Christidis,Yani;Perronnet,Jacques;Barzaghi,Fernando;etal.[EuropeanJournalofMedicinalChemistry,1988,vol.23,p.45-52]

[1]Drakulić,BrankoJ.;Stanojković,TatjanaP.;Žižak,ŽeljkoS.;Dabović,MilanM.[EuropeanJournalofMedicinalChemistry,2011,vol.46,#8,p.3265-3273]

[2]CurrentPatentAssignee:TOHOKUUNIVERSITY-US2015/353489,2015,A1Locationinpatent:Paragraph0068;0119;0120

[3]CurrentPatentAssignee:KAKEEDUCATIONALINSTITUTION;TOHOKUUNIVERSITY-US2019/224165,2019,A1Locationinpatent:Paragraph0093;0098-0099

[4]CurrentPatentAssignee:KAKEEDUCATIONALINSTITUTION;TOHOKUUNIVERSITY-US2022/106270,2022,A1Locationinpatent:Paragraph0084-0085;0090-0091

[5]CurrentPatentAssignee:KAKEEDUCATIONALINSTITUTION;TOHOKUUNIVERSITY-US2022/106270,2022,A1Locationinpatent:Paragraph0084-0085;0090-0091

[6]Upreti,Mani;Pant,Seema;Dandia,Anshu;Pant,UmeshC.[Phosphorus,SulfurandSiliconandtheRelatedElements,1996,vol.113,#1-4,p.165-171]

[7]Volonterio,Alessandro;DeArellano,CarmenRamirez;Zanda,Matteo[JournalofOrganicChemistry,2005,vol.70,#6,p.2161-2170]Drakulić,BrankoJ.;Juranić,ZoricaD.;Stanojković,TatjanaP.;Juranić,IvanO.[JournalofMedicinalChemistry,2005,vol.48,#17,p.5600-5603]

[8]Vitorovic-Todorovic,MajaD.;Eric-Nikolic,Aleksandra;Kolundzija,Branka;Hamel,Ernest;Ristic,Slavica;Juranic,IvanO.;Drakulic,BrankoJ.[EuropeanJournalofMedicinalChemistry,2013,vol.62,p.40-50]

[9]Bao,Jia-Xin;Fu,Jiang-Yan;Han,Hong-Wei;Lin,Hong-Yan;Lu,Gui-Hua;Lu,Yun-Ting;Qi,Jin-Liang;Sun,Wen-Xue;Wang,Ming-Yue;Wang,Xiao-Ming;Wang,Yin-Song;Wen,Zhong-Ling;Yang,Min-Kai;Yang,Yong-Hua[Bioorganicandmedicinalchemistry,2019,vol.27,#23]

[1]Dandia,Anshu;Singh,Ruby;Khaturia,Sarita[JournalofFluorineChemistry,2007,vol.128,#5,p.524-529]

[2]Upreti,Mani;Pant,Seema;Dandia,Anshu;Pant,UmeshC.[Phosphorus,SulfurandSiliconandtheRelatedElements,1996,vol.113,#1-4,p.165-171]

[1]Dandia,Anshu;Singh,Ruby;Khaturia,Sarita[JournalofFluorineChemistry,2007,vol.128,#5,p.524-529]

[2]Upreti,Mani;Pant,Seema;Dandia,Anshu;Pant,UmeshC.[Phosphorus,SulfurandSiliconandtheRelatedElements,1996,vol.113,#1-4,p.165-171]

[1]Dandia,Anshu;Singh,Ruby;Khaturia,Sarita[JournalofFluorineChemistry,2007,vol.128,#5,p.524-529]

[2]Upreti,Mani;Pant,Seema;Dandia,Anshu;Pant,UmeshC.[Phosphorus,SulfurandSiliconandtheRelatedElements,1996,vol.113,#1-4,p.165-171]

Literature

Title: Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields.

Journal: European journal of medicinal chemistry 20110801

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Tags:35504-85-9 Molecular Formula|35504-85-9 MDL|35504-85-9 SMILES|35504-85-9 (E)-4-(4-Fluorophenyl)-4-oxobut-2-enoic acid