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4847-94-3,MFCD00225496
Catalog No.:AA00DC3X

4847-94-3 | Benzo[d][1,3]dioxole-5-carboxamide

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Purity
Availability
Price(USD)
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1g
95%
in stock  
$143.00   $100.00
- +
5g
95%
in stock  
$404.00   $283.00
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10g
95%
in stock  
$796.00   $557.00
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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:
AA00DC3X
Chemical Name:
Benzo[d][1,3]dioxole-5-carboxamide
CAS Number:
4847-94-3
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00225496
SMILES:
NC(=O)c1ccc2c(c1)OCO2
NSC Number:
25197
Properties
Properties
 
BP:
283°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Naves;Ardizio[BulletindelaSocieteChimiquedeFrance,1957,p.1053,1056]

[2]Andrewes;King;Walker[ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1946,vol.133,p.20,30]

[3]Ganton,MichaelD.;Kerr,MichaelA.[OrganicLetters,2005,vol.7,#21,p.4777-4779]

[4]CurrentPatentAssignee:TELIKINC-US2003/92728,2003,A1

[5]Locationinpatent:experimentalpartLaborde,Edgardo;MacSata,RobertW.;Meng,Finying;Peterson,BrianT.;Robinson,Louise;Schow,SteveR.;Simon,ReynaJ.;Xu,Hua;Baba,Kunihisa;Inagaki,Hideaki;Ishiwata,Yoshiro;Jomori,Takahito;Matsumoto,Yukiharu;Miyachi,Atsushi;Nakamura,Takashi;Okamoto,Masayuki;Handel,TracyM.;Bernard,ClaudeC.A.[JournalofMedicinalChemistry,2011,vol.54,#6,p.1667-1681]

[6]Jevtić,IvanaI.;Došen-Mićović,Ljiljana;Ivanović,EvicaR.;Ivanović,MilovanD.[Synthesis,2016,vol.48,#10,p.1550-1560]

[7]Meng,Guangrong;Szostak,Roman;Szostak,Michal[OrganicLetters,2017,vol.19,#13,p.3596-3599]

[8]Bismuto,Alessandro;Boehm,Philip;Morandi,Bill;Roediger,Sven[AngewandteChemie-InternationalEdition,2020,vol.59,#41,p.17887-17896][Angew.Chem.,2020,vol.132,#41,p.18043-18052,10]

[1]Bose,D.Subhas;Jayalakshmi,B.[Synthesis,1999,#1,p.64-65]

[2]Kusurkar,Radhika;Goswami,Shailesh;Vyas,Sandhya[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2003,vol.42,#12,p.3148-3151]

[3]CurrentPatentAssignee:SAMJINPHARMACEUTICALCO.,LTD.-EP3409668,2018,A1Locationinpatent:Paragraph0059

[4]Andrewes;King;Walker[ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1946,vol.133,p.20,30]

[5]Xu,Tianxiao;Cao,Tianpeng;Feng,Qingyuan;Huang,Shenlin;Liao,Saihu[ChemicalCommunications,2020,vol.56,#38,p.5151-5153]

[1]Jiang,Xiao-Bin;Minnaard,AdriaanJ.;Feringa,BenL.;DeVries,JohannesG.[JournalofOrganicChemistry,2004,vol.69,#7,p.2327-2331]

[2]SanzSharley,DanielD.;Williams,JonathanM.J.[TetrahedronLetters,2017,vol.58,#43,p.4090-4093]

[3]KazemiMiraki,Maryam;Arefi,Marzban;Salamatmanesh,Arefeh;Yazdani,Elahe;Heydari,Akbar[CatalysisLetters,2018,vol.148,#11,p.3378-3388]

[4]Locationinpatent:experimentalpartGarcia-Alvarez,Rocio;Diez,Josefina;Crochet,Pascale;Cadierno,Victorio[Organometallics,2011,vol.30,#20,p.5442-5451]

[5]Locationinpatent:schemeortableCadierno,Victorio;Francos,Javier;Gimeno,Jose[Chemistry-AEuropeanJournal,2008,vol.14,#22,p.6601-6605]

[6]González-Fernández,Rebeca;González-Liste,PedroJ.;Borge,Javier;Crochet,Pascale;Cadierno,Victorio[Catalysisscienceandtechnology,2016,vol.6,#12,p.4398-4409]

[7]Locationinpatent:experimentalpartCadierno,Victorio;Diez,Josefina;Francos,Javier;Gimeno,Jose[Chemistry-AEuropeanJournal,2010,vol.16,#32,p.9808-9817]

[8]Polshettiwar,Vivek;Varma,RajenderS.[Chemistry-AEuropeanJournal,2009,vol.15,#7,p.1582-1586]

[9]NasirBaig;Varma,RajenderS.[GreenChemistry,2013,vol.15,#2,p.398-417]

[10]Rupe;v.Majewski[ChemischeBerichte,1900,vol.33,p.3405]

[11]McMaster;Noller[JournaloftheIndianChemicalSociety,1935,vol.12,p.653][ChemischesZentralblatt,1936,vol.107,#I,p.2920]

[1]CurrentPatentAssignee:SAMJINPHARMACEUTICALCO.,LTD.-EP3409668,2018,A1Locationinpatent:Paragraph0058

[2]Golubeva,ElenaA.;Grigoriev,VladimirV.;Lavrov,MstislavI.;Palyulin,VladimirA.;Radchenko,EugeneV.;Veremeeva,PolinaN.;Zamoyski,VladimirL.[MendeleevCommunications,2022,vol.32,#3,p.360-363]

[3]Nery,MarceloS.;Ribeiro,RenataP.;Lopes,ClaudioC.;Lopes,RosangelaS.C.[Synthesis,2003,#2,p.272-276]

[4]Beugelmans,Rene;Ginsburg,Helene;Bois-Choussy,Michele[JournaloftheChemicalSociety.PerkintransactionsI,1982,p.1149-1152]

[5]Ganton,MichaelD.;Kerr,MichaelA.[OrganicLetters,2005,vol.7,#21,p.4777-4779]

[6]vanLinge[RecueildesTravauxChimiquesdesPays-Bas,1897,vol.16,p.45]

[7]Jevtić,IvanaI.;Došen-Mićović,Ljiljana;Ivanović,EvicaR.;Ivanović,MilovanD.[Synthesis,2016,vol.48,#10,p.1550-1560]

[8]Xu,Tianxiao;Cao,Tianpeng;Feng,Qingyuan;Huang,Shenlin;Liao,Saihu[ChemicalCommunications,2020,vol.56,#38,p.5151-5153]

[1]Liu,Wenbo;Ren,Yun-Lai;Tian,Xinzhe;Zheng,Yi[Synlett,2022,vol.33,#4,p.376-380]

Literature

Title: Naravelia zeylanica [corrected] occurrence of primary benzamides in flowering plants.

Journal: Natural product research 20050401

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Tags:4847-94-3 Molecular Formula|4847-94-3 MDL|4847-94-3 SMILES|4847-94-3 Benzo[d][1,3]dioxole-5-carboxamide