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16323-43-6,MFCD00002698
Catalog No.:AA001TUZ

16323-43-6 | 1,4-Benzenediacrylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$9.00   $7.00
- +
5g
95%
in stock  
$38.00   $27.00
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25g
95%
in stock  
$135.00   $95.00
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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:
AA001TUZ
Chemical Name:
1,4-Benzenediacrylic acid
CAS Number:
16323-43-6
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00002698
SMILES:
OC(=O)C=Cc1ccc(cc1)C=CC(=O)O
NSC Number:
133919
Properties
Properties
 
BP:
429.671°C at 760 mmHg  
Form:
Solid  
MP:
>300 °C(lit.)  
Refractive Index:
1.7160 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
277  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Patent:US2017/233325,2017,A1.Locationinpatent:Paragraph0252;0253

[2]CanadianJournalofChemistry,1992,vol.70,p.1366-1374

[3]AngewandteChemie-InternationalEdition,2018,vol.57,p.6475-6479    Angew.Chem.,2018,vol.130,p.6585-6589,5

[1]Liu,Jinying;Yuan,Feng;Ma,Xiaoyu;Auphedeous,Dang-iY.;Zhao,Changli;Liu,Chuntai;Shen,Changyu;Feng,Chuanliang[AngewandteChemie-InternationalEdition,2018,vol.57,#22,p.6475-6479][Angew.Chem.,2018,vol.130,p.6585-6589,5]

[2]Gleiter,Rolf;Kraemer,Rolf;Irngartinger,Hermann;Bissinger,Claus[JournalofOrganicChemistry,1992,vol.57,#1,p.252-258]

[3]Locationinpatent:experimentalpartMiura,Hirohiko;Takahashi,Shu;Kasai,Hitoshi;Okada,Shuji;Yase,Kiyoshi;Oikawa,Hidetoshi;Nakanishi,Hachiro[CrystalGrowthandDesign,2010,vol.10,#2,p.510-517]

[4]Weyrauch,JanP.;Hashmi,A.StephenK.;Schuster,Andreas;Hengst,Tobias;Schetter,Stefanie;Littmann,Anna;Rudolph,Matthias;Hamzic,Melissa;Visus,Jorge;Rominger,Frank;Frey,Wolfgang;Bats,JanW.[Chemistry-AEuropeanJournal,2010,vol.16,#3,p.956-963]

[1]Locationinpatent:schemeortableKumagai,Jun;Hirano,Koji;Satoh,Tetsuya;Seki,Shu;Miura,Masahiro[JournalofPhysicalChemistryB,2011,vol.115,#26,p.8446-8452]

[2]Ried,Walter;Oremek,Gerhard;Guryn,Roman[LiebigsAnnalenderChemie,1980,#7,p.1172-1175]

[1]CurrentPatentAssignee:NDSURESEARCHFOUNDATION-US2017/233325,2017,A1Locationinpatent:Paragraph0249-0251

[2]Mutar,MohammedA.[AsianJournalofChemistry,2014,vol.26,p.S45-S52]

[3]Locationinpatent:experimentalpartMiura,Hirohiko;Takahashi,Shu;Kasai,Hitoshi;Okada,Shuji;Yase,Kiyoshi;Oikawa,Hidetoshi;Nakanishi,Hachiro[CrystalGrowthandDesign,2010,vol.10,#2,p.510-517]

[4]Onciu,Marioara;Chiriac,ConstantinI.;Vlad,Stelian;Stoica,Gheorghe;Grigoriu,George;Timpu,Daniel[RevueRoumainedeChimie,1998,vol.43,#7,p.641-648]

[5]Liu,Jinying;Yuan,Feng;Ma,Xiaoyu;Auphedeous,Dang-iY.;Zhao,Changli;Liu,Chuntai;Shen,Changyu;Feng,Chuanliang[AngewandteChemie-InternationalEdition,2018,vol.57,#22,p.6475-6479][Angew.Chem.,2018,vol.130,p.6585-6589,5]

[6]Teuber,H.-J.;Dietrich,M.[ChemischeBerichte,1967,vol.100,#9,p.2908-2917]

[7]Neudeck,HorstK.[MonatsheftefurChemie,1987,vol.118,p.627-658]

[8]Gleiter,Rolf;Kraemer,Rolf;Irngartinger,Hermann;Bissinger,Claus[JournalofOrganicChemistry,1992,vol.57,#1,p.252-258]

[9]Tang,Hang;Wijesekera,TilakP.;Dolphin,David[CanadianJournalofChemistry,1992,vol.70,#5,p.1366-1374]

[10]Hardegger,LeoA.;Humair,Roger;Sidler,Eric[OrganicProcessResearchandDevelopment,2020,vol.24,#9,p.1756-1762]

[1]Tang,Hang;Wijesekera,TilakP.;Dolphin,David[CanadianJournalofChemistry,1992,vol.70,#5,p.1366-1374]

[2]Gleiter,Rolf;Kraemer,Rolf;Irngartinger,Hermann;Bissinger,Claus[JournalofOrganicChemistry,1992,vol.57,#1,p.252-258]

[3]CurrentPatentAssignee:NDSURESEARCHFOUNDATION-US2017/233325,2017,A1

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:16323-43-6 Molecular Formula|16323-43-6 MDL|16323-43-6 SMILES|16323-43-6 1,4-Benzenediacrylic acid