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36820-78-7,MFCD03848051
Catalog No.:AA00C5LN

36820-78-7 | Ethyl 3-formyl-5-methoxy-1H-indole-2-carboxylate

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250mg
95%
in stock  
$195.00   $137.00
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1g
95%
in stock  
$461.00   $323.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C5LN
Chemical Name:
Ethyl 3-formyl-5-methoxy-1H-indole-2-carboxylate
CAS Number:
36820-78-7
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD03848051
SMILES:
CCOC(=O)c1[nH]c2c(c1C=O)cc(cc2)OC
Properties
Computed Properties
 
Complexity:
320  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2  

Downstream Synthesis Route

[1]Pagire,HaushabhauS.;Chun,Hang-Suk;Bae,MyungAe;Ahn,JinHee[Tetrahedron,2013,vol.69,#14,p.3039-3044]

[2]Beeretal.[JournaloftheChemicalSociety,1954,p.2679,2683]

[1]Trabbic,ChristopherJ.;Overmeyer,JeanH.;Alexander,EvanM.;Crissman,EmilyJ.;Kvale,HeatherM.;Smith,MarcieA.;Erhardt,PaulW.;Maltese,WilliamA.[JournalofMedicinalChemistry,2015,vol.58,#5,p.2489-2512]

[2]Lee,JaeHong;So,Ju-Hoon;Jeon,JongHyun;Choi,EunBok;Lee,Yu-Ri;Chang,Young-Tae;Kim,Cheol-Hee;Bae,MyungAe;Ahn,JinHee[ChemicalCommunications,2011,vol.47,#26,p.7500-7502]

[3]Skibo;Xing;Dorr[JournalofMedicinalChemistry,2001,vol.44,#22,p.3545-3562]

[4]Chen,Huayan;Yang,Hui;Wang,Zhilong;Xie,Xin;Nan,Fajun[ACSMedicinalChemistryLetters,2016,vol.7,#3,p.335-339]

[5]Monge;Parrado;Font;Fernandez-Alvarez[JournalofMedicinalChemistry,1987,vol.30,#6,p.1029-1035]

[6]Preti,Delia;Romagnoli,Romeo;Rondanin,Riccardo;Cacciari,Barbara;Hamel,Ernest;Balzarini,Jan;Liekens,Sandra;Schols,Dominique;Estévez-Sarmiento,Francisco;Quintana,José;Estévez,Francisco[JournalofEnzymeInhibitionandMedicinalChemistry,2018,vol.33,#1,p.1225-1238]

[7]Thanigaimalai,Pillaiyar;Konno,Sho;Yamamoto,Takehito;Koiwai,Yuji;Taguchi,Akihiro;Takayama,Kentaro;Yakushiji,Fumika;Akaji,Kenichi;Chen,Shen-En;Naser-Tavakolian,Aurash;Schön,Arne;Freire,Ernesto;Hayashi,Yoshio[EuropeanJournalofMedicinalChemistry,2013,vol.68,p.372-384]

[8]Wang,Cong-Shuai;Wu,Jia-Le;Li,Can;Li,Lin-Zhi;Mei,Guang-Jian;Shi,Feng[AdvancedSynthesisandCatalysis,2018,vol.360,#5,p.846-851]

36820-78-7    2827-56-7   
3-(E)-2,4-Dioxo-imidazolidin-1-ylimino-methyl}-5-methoxy-1H-indole-2-carboxylicacidethylester 

[1]ArchivderPharmazie,1988,vol.321,p.377-383

[1]Hickman;Sturino;Lachance[TetrahedronLetters,2000,vol.41,#43,p.8217-8220]

Literature
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Tags:36820-78-7 Molecular Formula|36820-78-7 MDL|36820-78-7 SMILES|36820-78-7 Ethyl 3-formyl-5-methoxy-1H-indole-2-carboxylate