1119-19-3,MFCD12025190
Catalog No.:AA0083XS

1119-19-3 | 2-Butynal (9CI)

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Purity
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50mg
95%
3 weeks  
$368.00   $258.00
- +
100mg
95%
3 weeks  
$517.00   $362.00
- +
250mg
95%
3 weeks  
$713.00   $499.00
- +
500mg
95%
3 weeks  
$1,092.00   $764.00
- +
1g
95%
3 weeks  
$1,384.00   $969.00
- +
2.5g
95%
3 weeks  
$2,654.00   $1,858.00
- +
5g
95%
3 weeks  
$3,900.00   $2,730.00
- +
10g
95%
3 weeks  
$5,756.00   $4,029.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0083XS
Chemical Name:
2-Butynal (9CI)
CAS Number:
1119-19-3
Molecular Formula:
C4H4O
Molecular Weight:
68.0740
MDL Number:
MFCD12025190
SMILES:
CC#CC=O
Properties
Computed Properties
 
Complexity:
80.3  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route
3274-56-4    1119-19-3   
4-(3,5-diphenyl-pyrrol-2-yl)-but-3-en-2-one 

[1]JournaloftheChemicalSociety,1947,p.1626,1630

[1]CurrentPatentAssignee:VITAAPI;SIMON-WO2018/115497,2018,A1Locationinpatent:Page/Pagecolumn53;55

[2]Tietze,LutzF.;Gericke,KerstenM.;Singidi,RamakrishnaReddy;Schuberth,Ingrid[OrganicandBiomolecularChemistry,2007,vol.5,#8,p.1191-1200]

[3]Pecourneau,Jérémy;Losantos,Raúl;Monari,Antonio;Parant,Stéphane;Pasc,Andreea;Mourer,Maxime[JournalofOrganicChemistry,2021,vol.86,#12,p.8112-8126]

[4]Bestmann;Koschatzky;Schaetzke;etal.[LiebigsAnnalenderChemie,1981,vol.No.9,#9,p.1705-1720]

[5]Persich,Peter;Llaveria,Josep;Lhermet,Rudy;Deharo,Teresa;Stade,Robert;Kondoh,Azusa;Fuerstner,Alois[Chemistry-AEuropeanJournal,2013,vol.19,#39,p.13047-13058]

[6]Fürstner,Alois;Grimes,MarkI.;Hulme,AlisonN.;Whitelegge,JamesT.;Yiannakas,Ektoras[AngewandteChemie-InternationalEdition,2021,vol.60,#34,p.18504-18508][Angew.Chem.,2021,vol.133,#24,p.18652-18656]

[7]Mailhol,Damien;Willwacher,Jens;Kausch-Busies,Nina;Rubitski,ElizabethE.;Sobol,Zhanna;Schuler,Maik;Lam,My-Hanh;Musto,Sylvia;Loganzo,Frank;Maderna,Andreas;Fürstner,Alois[JournaloftheAmericanChemicalSociety,2014,vol.136,#44,p.15719-15729]

[8]Willwacher,Jens;Kausch-Busies,Nina;Fürstner,Alois[AngewandteChemie-InternationalEdition,2012,vol.51,#48,p.12041-12046][Angew.Chem.,2012,vol.124,#48,p.12207-12212,6]

[9]CurrentPatentAssignee:SANTENPHARMACEUTICALCOLTD-EP1457205,2004,A1

[10]Locationinpatent:experimentalpartCramer,Benedikt;Harrer,Henning;Nakamura,Kazuhiko;Uemura,Daisuke;Humpf,Hans-Ulrich[BioorganicandMedicinalChemistry,2010,vol.18,#1,p.343-347]

[11]Bentley,R.K.etal.[JournaloftheChemicalSocietyC:Organic,1969,p.683-685]

[12]Tamaru,Yoshinao;Hojo,Makoto;Kawamura,Shin-ichi;Sawada,Shuji;Yoshida,Zen-ichi[JournalofOrganicChemistry,1987,vol.52,#18,p.4062-4072]

[13]Klapstein,Dieter;O'Brien,RobertT.[CanadianJournalofChemistry,1988,vol.66,p.143-148]

[14]Shavrin,K.N.;Krylova,I.V.;Dolgii,I.E.;Nefedov,O.M.[Bull.Russ.Acad.Sci.Div.Chem.Sci.(Engl.Transl.),1992,vol.41,#5.2,p.885-891][IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1992,#5,p.1128-1135]

[15]Shavrin,K.N.;Shvedova,I.B.;Nefedov,O.M.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1991,vol.40,#11,p.2235-2240][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1991,#11,p.2559-2564]

[16]Betzer,Jean-François;Pancrazi,Ange[Synthesis,1999,#4,p.629-634]

[17]Sattely,ElizabethS.;AlexanderCortez;Moebius,DavidC.;Schrock,RichardR.;Hoveyda,AmirH.[JournaloftheAmericanChemicalSociety,2005,vol.127,#23,p.8526-8533]

[18]Chen;Kiattansakul;Ma;Snyder[JournalofOrganicChemistry,2001,vol.66,#21,p.6932-6942]

[19]CurrentPatentAssignee:BLACKSTONEPARTNERSLLC-US2003/32623,2003,A1

[20]Locationinpatent:experimentalpartSekiguchi,Satoshi;Akagi,Megumi;Naito,Junpei;Yamamoto,Yoko;Taji,Hiromi;Kuwahara,Shunsuke;Watanabe,Masataka;Ozawa,Yoshiki;Toriumi,Koshiro;Harada,Nobuyuki[EuropeanJournalofOrganicChemistry,2008,#13,p.2313-2324]

[21]Locationinpatent:schemeortableMiura,Tomoya;Shimada,Masahiko;DeMendoza,Paula;Deutsch,Carl;Krause,Norbert;Murakami,Masahiro[JournalofOrganicChemistry,2009,vol.74,#16,p.6050-6054]

[22]Locationinpatent:bodytextGabriele,Bartolo;Attya,Mohamed;Fazio,Alessia;DiDonna,Leonardo;Plastina,Pierluigi;Sindona,Giovanni[Synthesis,2009,#11,p.1815-1820]

[23]Gille,Annika;Rehbein,Julia;Hiersemann,Martin[OrganicLetters,2011,vol.13,#8,p.2122-2125]

[24]Neuhaus,ChristianM.;Liniger,Marc;Stieger,Martin;Altmann,Karl-Heinz[AngewandteChemie-InternationalEdition,2013,vol.52,#22,p.5866-5870][Angew.Chem.,2013,vol.125,#22,p.5978-5983,6]

[25]Csatayova,Kristina;Davies,StephenG.;Ford,J.Gair;Lee,JamesA.;Roberts,PaulM.;Thomson,JamesE.[JournalofOrganicChemistry,2013,vol.78,#24,p.12397-12408]

[26]Yin,Jian-Peng;Gu,Min;Li,Ying;Nan,Fa-Jun[JournalofOrganicChemistry,2014,vol.79,#13,p.6294-6301]

[27]Ahlers,Andreas;DeHaro,Teresa;Gabor,Barbara;Fürstner,Alois[AngewandteChemie-InternationalEdition,2016,vol.55,#4,p.1406-1411][Angew.Chem.,2016,vol.128,p.1428-1433,6]

[28]CurrentPatentAssignee:AMGENINC-WO2016/187308,2016,A1Locationinpatent:Paragraph01528

[29]Huang,Jing-Kai;Shia,Kak-Shan[AngewandteChemie-InternationalEdition,2020,vol.59,#16,p.6540-6545][Angew.Chem.,2020,vol.132,#16,p.6602-6607,6]

[30]Altmann,Karl-Heinz;Liniger,Marc;Neuhaus,ChristianM.[Molecules,2020,vol.25,#19]

[31]CurrentPatentAssignee:GUANGXINORMALUNIVERSITY-CN111825679,2020,ALocationinpatent:Paragraph0198-0200

[32]Wang,Kuang-Yu;Li,Yuanhe;Zhang,Shu-Lei;Chen,Jia-Hua;Yang,Zhen[TetrahedronLetters,2022,vol.102]

[1]ArchivderPharmazie,1994,vol.327,p.221-224

[1]ArchivderPharmazie,1994,vol.327,p.221-224

1119-19-3    62-50-0   
2-Hydroxy-pent-3-yne-1-sulfonicacidethylester 

[1]ChemischeBerichte,1995,vol.128,p.851-860

Literature
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Related Products of 1119-19-3
Tags:1119-19-3 Molecular Formula|1119-19-3 MDL|1119-19-3 SMILES|1119-19-3 2-Butynal (9CI)
Catalog No.: AA0083XS
1119-19-3,MFCD12025190
1119-19-3 | 2-Butynal (9CI)
Pack Size: 50mg
Purity: 95%
3 weeks
$368.00 $258.00
Pack Size: 100mg
Purity: 95%
3 weeks
$517.00 $362.00
Pack Size: 250mg
Purity: 95%
3 weeks
$713.00 $499.00
Pack Size: 500mg
Purity: 95%
3 weeks
$1,092.00 $764.00
Pack Size: 1g
Purity: 95%
3 weeks
$1,384.00 $969.00
Pack Size: 2.5g
Purity: 95%
3 weeks
$2,654.00 $1,858.00
Pack Size: 5g
Purity: 95%
3 weeks
$3,900.00 $2,730.00
Pack Size: 10g
Purity: 95%
3 weeks
$5,756.00 $4,029.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0083XS
Chemical Name: 2-Butynal (9CI)
CAS Number: 1119-19-3
Molecular Formula: C4H4O
Molecular Weight: 68.0740
MDL Number: MFCD12025190
SMILES: CC#CC=O
Properties
Complexity: 80.3  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 5  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
3274-56-4    1119-19-3   
4-(3,5-diphenyl-pyrrol-2-yl)-but-3-en-2-one 

[1]JournaloftheChemicalSociety,1947,p.1626,1630

764-01-2    1119-19-3 

[1]CurrentPatentAssignee:VITAAPI;SIMON-WO2018/115497,2018,A1Locationinpatent:Page/Pagecolumn53;55

[2]Tietze,LutzF.;Gericke,KerstenM.;Singidi,RamakrishnaReddy;Schuberth,Ingrid[OrganicandBiomolecularChemistry,2007,vol.5,#8,p.1191-1200]

[3]Pecourneau,Jérémy;Losantos,Raúl;Monari,Antonio;Parant,Stéphane;Pasc,Andreea;Mourer,Maxime[JournalofOrganicChemistry,2021,vol.86,#12,p.8112-8126]

[4]Bestmann;Koschatzky;Schaetzke;etal.[LiebigsAnnalenderChemie,1981,vol.No.9,#9,p.1705-1720]

[5]Persich,Peter;Llaveria,Josep;Lhermet,Rudy;Deharo,Teresa;Stade,Robert;Kondoh,Azusa;Fuerstner,Alois[Chemistry-AEuropeanJournal,2013,vol.19,#39,p.13047-13058]

[6]Fürstner,Alois;Grimes,MarkI.;Hulme,AlisonN.;Whitelegge,JamesT.;Yiannakas,Ektoras[AngewandteChemie-InternationalEdition,2021,vol.60,#34,p.18504-18508][Angew.Chem.,2021,vol.133,#24,p.18652-18656]

[7]Mailhol,Damien;Willwacher,Jens;Kausch-Busies,Nina;Rubitski,ElizabethE.;Sobol,Zhanna;Schuler,Maik;Lam,My-Hanh;Musto,Sylvia;Loganzo,Frank;Maderna,Andreas;Fürstner,Alois[JournaloftheAmericanChemicalSociety,2014,vol.136,#44,p.15719-15729]

[8]Willwacher,Jens;Kausch-Busies,Nina;Fürstner,Alois[AngewandteChemie-InternationalEdition,2012,vol.51,#48,p.12041-12046][Angew.Chem.,2012,vol.124,#48,p.12207-12212,6]

[9]CurrentPatentAssignee:SANTENPHARMACEUTICALCOLTD-EP1457205,2004,A1

[10]Locationinpatent:experimentalpartCramer,Benedikt;Harrer,Henning;Nakamura,Kazuhiko;Uemura,Daisuke;Humpf,Hans-Ulrich[BioorganicandMedicinalChemistry,2010,vol.18,#1,p.343-347]

[11]Bentley,R.K.etal.[JournaloftheChemicalSocietyC:Organic,1969,p.683-685]

[12]Tamaru,Yoshinao;Hojo,Makoto;Kawamura,Shin-ichi;Sawada,Shuji;Yoshida,Zen-ichi[JournalofOrganicChemistry,1987,vol.52,#18,p.4062-4072]

[13]Klapstein,Dieter;O'Brien,RobertT.[CanadianJournalofChemistry,1988,vol.66,p.143-148]

[14]Shavrin,K.N.;Krylova,I.V.;Dolgii,I.E.;Nefedov,O.M.[Bull.Russ.Acad.Sci.Div.Chem.Sci.(Engl.Transl.),1992,vol.41,#5.2,p.885-891][IzvestiyaAkademiNauk,SeriyaKhimicheskaya,1992,#5,p.1128-1135]

[15]Shavrin,K.N.;Shvedova,I.B.;Nefedov,O.M.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1991,vol.40,#11,p.2235-2240][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1991,#11,p.2559-2564]

[16]Betzer,Jean-François;Pancrazi,Ange[Synthesis,1999,#4,p.629-634]

[17]Sattely,ElizabethS.;AlexanderCortez;Moebius,DavidC.;Schrock,RichardR.;Hoveyda,AmirH.[JournaloftheAmericanChemicalSociety,2005,vol.127,#23,p.8526-8533]

[18]Chen;Kiattansakul;Ma;Snyder[JournalofOrganicChemistry,2001,vol.66,#21,p.6932-6942]

[19]CurrentPatentAssignee:BLACKSTONEPARTNERSLLC-US2003/32623,2003,A1

[20]Locationinpatent:experimentalpartSekiguchi,Satoshi;Akagi,Megumi;Naito,Junpei;Yamamoto,Yoko;Taji,Hiromi;Kuwahara,Shunsuke;Watanabe,Masataka;Ozawa,Yoshiki;Toriumi,Koshiro;Harada,Nobuyuki[EuropeanJournalofOrganicChemistry,2008,#13,p.2313-2324]

[21]Locationinpatent:schemeortableMiura,Tomoya;Shimada,Masahiko;DeMendoza,Paula;Deutsch,Carl;Krause,Norbert;Murakami,Masahiro[JournalofOrganicChemistry,2009,vol.74,#16,p.6050-6054]

[22]Locationinpatent:bodytextGabriele,Bartolo;Attya,Mohamed;Fazio,Alessia;DiDonna,Leonardo;Plastina,Pierluigi;Sindona,Giovanni[Synthesis,2009,#11,p.1815-1820]

[23]Gille,Annika;Rehbein,Julia;Hiersemann,Martin[OrganicLetters,2011,vol.13,#8,p.2122-2125]

[24]Neuhaus,ChristianM.;Liniger,Marc;Stieger,Martin;Altmann,Karl-Heinz[AngewandteChemie-InternationalEdition,2013,vol.52,#22,p.5866-5870][Angew.Chem.,2013,vol.125,#22,p.5978-5983,6]

[25]Csatayova,Kristina;Davies,StephenG.;Ford,J.Gair;Lee,JamesA.;Roberts,PaulM.;Thomson,JamesE.[JournalofOrganicChemistry,2013,vol.78,#24,p.12397-12408]

[26]Yin,Jian-Peng;Gu,Min;Li,Ying;Nan,Fa-Jun[JournalofOrganicChemistry,2014,vol.79,#13,p.6294-6301]

[27]Ahlers,Andreas;DeHaro,Teresa;Gabor,Barbara;Fürstner,Alois[AngewandteChemie-InternationalEdition,2016,vol.55,#4,p.1406-1411][Angew.Chem.,2016,vol.128,p.1428-1433,6]

[28]CurrentPatentAssignee:AMGENINC-WO2016/187308,2016,A1Locationinpatent:Paragraph01528

[29]Huang,Jing-Kai;Shia,Kak-Shan[AngewandteChemie-InternationalEdition,2020,vol.59,#16,p.6540-6545][Angew.Chem.,2020,vol.132,#16,p.6602-6607,6]

[30]Altmann,Karl-Heinz;Liniger,Marc;Neuhaus,ChristianM.[Molecules,2020,vol.25,#19]

[31]CurrentPatentAssignee:GUANGXINORMALUNIVERSITY-CN111825679,2020,ALocationinpatent:Paragraph0198-0200

[32]Wang,Kuang-Yu;Li,Yuanhe;Zhang,Shu-Lei;Chen,Jia-Hua;Yang,Zhen[TetrahedronLetters,2022,vol.102]

1004-38-2    1119-19-3    20738-96-9    19191-82-3 

[1]ArchivderPharmazie,1994,vol.327,p.221-224

1004-38-2    1119-19-3    19191-82-3 

[1]ArchivderPharmazie,1994,vol.327,p.221-224

1119-19-3    62-50-0   
2-Hydroxy-pent-3-yne-1-sulfonicacidethylester 

[1]ChemischeBerichte,1995,vol.128,p.851-860

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