1551-06-0,MFCD00060477
Catalog No.:AA003384

1551-06-0 | 2-Ethylpyrrole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$16.00   $12.00
- +
1g
98%
in stock  
$32.00   $23.00
- +
5g
98%
in stock  
$148.00   $104.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003384
Chemical Name:
2-Ethylpyrrole
CAS Number:
1551-06-0
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD00060477
SMILES:
CCc1ccc[nH]1
Properties
Properties
 
BP:
164°C at 760 mmHg  
Form:
Liquid  
MP:
6.5°C (estimate)  
Refractive Index:
n20/D 1.497(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
52.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1934,vol.4,p.1258,1260    ChemischesZentralblatt,1936,vol.107,p.4293

[1]deJong;Wibaut[RecueildesTravauxChimiquesdesPays-Bas,1930,vol.49,p.237,242]

[2]CurrentPatentAssignee:TDKCORPORATION-JP2017/178792,2017,ALocationinpatent:Paragraph0061

[1]Fischer;Goldschmidt;Nuessler[JustusLiebigsAnnalenderChemie,1931,vol.486,p.33]

[2]Molins-Pujol,AntoniM.;Moranta,Concepcio;Arroyo,Carmina;Rodriguez,M.Teresa;Meca,M.Carmen;Pujol,M.Dolors;Bonal,Joaquim[JournaloftheChemicalSociety.PerkintransactionsI,1996,#18,p.2277-2289]

[1]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]

[2]Kancharla,Papireddy;Kelly,JaneXu;Reynolds,KevinA.[JournalofMedicinalChemistry,2015,vol.58,#18,p.7286-7309]

[3]CurrentPatentAssignee:OREGONSTATEBOARDOFHIGHEREDUCATION-WO2016/176450,2016,A1Locationinpatent:Page/Pagecolumn20;21;33

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

[5]Znidar,Desiree;O'Kearney-Mcmullan,Anne;Munday,Rachel;Wiles,Charlotte;Poechlauer,Peter;Schmoelzer,Christoph;Dallinger,Doris;Kappe,C.Oliver[OrganicProcessResearchandDevelopment,2019,vol.23,#11,p.2445-2455]

[6]AlonsoGarrido;Buldain;Frydman[JournalofOrganicChemistry,1984,vol.49,#14,p.2619-2622]

[7]Derin,Yavuz;Yılmaz,RaşitFikret;Baydilek,İbrahimHalil;Atalay,VildanEnisoğlu;Özdemir,Abdil;Tutar,Ahmet[InorganicaChimicaActa,2018,vol.482,p.130-135]

[8]Fischer;Beller;Stern[ChemischeBerichte,1928,vol.61,p.1082]Fischer;Goldschmidt;Nuessler[JustusLiebigsAnnalenderChemie,1931,vol.486,p.33]

[9]Cornforth;Firth[JournaloftheChemicalSociety,1958,p.1091,1094]

[10]Herz;Courtney[JournaloftheAmericanChemicalSociety,1954,vol.76,p.576]

[11]Locationinpatent:schemeortableNoland,WaylandE.;Lanzatella,NicholasP.;Sizova,ElenaP.;Venkatraman,Lakshmanan;Afanasyev,OlegV.[JournalofHeterocyclicChemistry,2009,vol.46,#3,p.503-534]

[12]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]AlonsoGarrido;Buldain;Frydman[JournalofOrganicChemistry,1984,vol.49,#14,p.2619-2622]

Literature

Title: Modeling the photochemistry of the reference phototoxic drug lomefloxacin by steady-state and time-resolved experiments, and DFT and post-HF calculations.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

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Additional Info:
SDS
Historical Records
Tags:1551-06-0 Molecular Formula|1551-06-0 MDL|1551-06-0 SMILES|1551-06-0 2-Ethylpyrrole
Catalog No.: AA003384
1551-06-0,MFCD00060477
1551-06-0 | 2-Ethylpyrrole
Pack Size: 250mg
Purity: 98%
in stock
$16.00 $12.00
Pack Size: 1g
Purity: 98%
in stock
$32.00 $23.00
Pack Size: 5g
Purity: 98%
in stock
$148.00 $104.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003384
Chemical Name: 2-Ethylpyrrole
CAS Number: 1551-06-0
Molecular Formula: C6H9N
Molecular Weight: 95.1424
MDL Number: MFCD00060477
SMILES: CCc1ccc[nH]1
Properties
BP: 164°C at 760 mmHg  
Form: Liquid  
MP: 6.5°C (estimate)  
Refractive Index: n20/D 1.497(lit.)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 52.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 0  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
7335-06-0    1551-06-0    617-92-5 

[1]ZhurnalObshcheiKhimii,1934,vol.4,p.1258,1260    ChemischesZentralblatt,1936,vol.107,p.4293

1551-06-0    1003-28-7 

[1]deJong;Wibaut[RecueildesTravauxChimiquesdesPays-Bas,1930,vol.49,p.237,242]

[2]CurrentPatentAssignee:TDKCORPORATION-JP2017/178792,2017,ALocationinpatent:Paragraph0061

1551-06-0    35011-31-5 

[1]Fischer;Goldschmidt;Nuessler[JustusLiebigsAnnalenderChemie,1931,vol.486,p.33]

[2]Molins-Pujol,AntoniM.;Moranta,Concepcio;Arroyo,Carmina;Rodriguez,M.Teresa;Meca,M.Carmen;Pujol,M.Dolors;Bonal,Joaquim[JournaloftheChemicalSociety.PerkintransactionsI,1996,#18,p.2277-2289]

1072-83-9    1551-06-0 

[1]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]

[2]Kancharla,Papireddy;Kelly,JaneXu;Reynolds,KevinA.[JournalofMedicinalChemistry,2015,vol.58,#18,p.7286-7309]

[3]CurrentPatentAssignee:OREGONSTATEBOARDOFHIGHEREDUCATION-WO2016/176450,2016,A1Locationinpatent:Page/Pagecolumn20;21;33

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

[5]Znidar,Desiree;O'Kearney-Mcmullan,Anne;Munday,Rachel;Wiles,Charlotte;Poechlauer,Peter;Schmoelzer,Christoph;Dallinger,Doris;Kappe,C.Oliver[OrganicProcessResearchandDevelopment,2019,vol.23,#11,p.2445-2455]

[6]AlonsoGarrido;Buldain;Frydman[JournalofOrganicChemistry,1984,vol.49,#14,p.2619-2622]

[7]Derin,Yavuz;Yılmaz,RaşitFikret;Baydilek,İbrahimHalil;Atalay,VildanEnisoğlu;Özdemir,Abdil;Tutar,Ahmet[InorganicaChimicaActa,2018,vol.482,p.130-135]

[8]Fischer;Beller;Stern[ChemischeBerichte,1928,vol.61,p.1082]Fischer;Goldschmidt;Nuessler[JustusLiebigsAnnalenderChemie,1931,vol.486,p.33]

[9]Cornforth;Firth[JournaloftheChemicalSociety,1958,p.1091,1094]

[10]Herz;Courtney[JournaloftheAmericanChemicalSociety,1954,vol.76,p.576]

[11]Locationinpatent:schemeortableNoland,WaylandE.;Lanzatella,NicholasP.;Sizova,ElenaP.;Venkatraman,Lakshmanan;Afanasyev,OlegV.[JournalofHeterocyclicChemistry,2009,vol.46,#3,p.503-534]

[12]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]

1551-06-0    89789-59-3 

[1]AlonsoGarrido;Buldain;Frydman[JournalofOrganicChemistry,1984,vol.49,#14,p.2619-2622]

Literature fold

Title: Modeling the photochemistry of the reference phototoxic drug lomefloxacin by steady-state and time-resolved experiments, and DFT and post-HF calculations.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20080101

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