Home Aldehydes 52115-68-1
52115-68-1,MFCD19300736
Catalog No.:AA00J2HB

52115-68-1 | 5-Ethyl-1H-pyrrole-2-carbaldehyde

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00J2HB
Chemical Name:
5-Ethyl-1H-pyrrole-2-carbaldehyde
CAS Number:
52115-68-1
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD19300736
SMILES:
CCc1ccc([nH]1)C=O
Properties
Computed Properties
 
Complexity:
103  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Patil;Otter;Klein[JournalofHeterocyclicChemistry,1994,vol.31,#4,p.781-786]

[1]Wu,Liangxing;Burgess,Kevin[ChemicalCommunications,2008,#40,p.4933-4935]

[2]Schäfer,Clara;Mony,Jürgen;Olsson,Thomas;Börjesson,Karl[Chemistry-AEuropeanJournal,2020,vol.26,#63,p.14295-14299]

[3]Akhmanova,Anna;Heise,Constanze;Meiring,JoyceC.M.;Pettersson,LindaN.;Sailer,Alexander;Thorn-Seshold,Julia;Thorn-Seshold,Oliver[AngewandteChemie-InternationalEdition,2021,vol.60,#44,p.23695-23704][Angew.Chem.,2021,vol.133,#44,p.23888-23897]

[4]Melvin,MattS.;Tomlinson,JohnT.;Park,Gyungse;Day,CynthiaS.;Saluta,GildaR.;Kucera,GregoryL.;Manderville,RichardA.[ChemicalResearchinToxicology,2002,vol.15,#5,p.734-741]

[5]Gao,Min;Lee,SunHyeok;Park,SangHyuk;Ciaramicoli,LarissaMiasiro;Kwon,Haw-Young;Cho,Heewon;Jeong,Joseph;Chang,Young-Tae[AngewandteChemie-InternationalEdition,2021,vol.60,#44,p.23743-23749][Angew.Chem.,2021,vol.133,#44,p.23936-23942]

[1]ChemicalResearchinToxicology,2002,vol.15,p.734-741

[1]JournaloftheAmericanChemicalSociety,2000,vol.122,p.6333-6334

Literature
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Tags:52115-68-1 Molecular Formula|52115-68-1 MDL|52115-68-1 SMILES|52115-68-1 5-Ethyl-1H-pyrrole-2-carbaldehyde