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1617-31-8,MFCD09038392
Catalog No.:AA001VQP

1617-31-8 | 3-Butenoic acid, 3-Methyl-

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100mg
95%
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$156.00   $109.00
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250mg
95%
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$235.00   $164.00
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1g
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$515.00   $360.00
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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:
AA001VQP
Chemical Name:
3-Butenoic acid, 3-Methyl-
CAS Number:
1617-31-8
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD09038392
SMILES:
CC(=C)CC(=O)O
Properties
Computed Properties
 
Complexity:
94.3  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Sakamoto,Masami;Watanabe,Shoji;Fujita,Tsutomu;Yanase,Tohru[JournalofOrganicChemistry,1990,vol.55,#9,p.2986-2988]

[1]Smith,A.B.;Toder,B.H.;Branca,S.J.[JournaloftheAmericanChemicalSociety,1981,vol.103,p.1996]

[2]Morrill,LouisC.;Smith,SamuelM.;Slawin,AlexandraM.Z.;Smith,AndrewD.[JournalofOrganicChemistry,2014,vol.79,#4,p.1640-1655]

[3]Nakahata,Takashi;Itagaki,Noriaki;Arai,Tomonori;Sugie,Hajime;Kuwahara,Shigefumi[Bioscience,BiotechnologyandBiochemistry,2003,vol.67,#12,p.2627-2631]

[4]Liang,Dawei;Gao,Nana;Liu,Wei;Dong,Jinhua[Molecules,2014,vol.19,#1,p.1238-1249]

[5]Herold;Mohr;Tamm[HelveticaChimicaActa,1983,vol.66,#3,p.744-754]

[6]Walker,PaulD.;Williams,Christopher;Weir,AngusN.M.;Wang,Luoyi;Crosby,John;Race,PaulR.;Simpson,ThomasJ.;Willis,ChristineL.;Crump,MatthewP.[AngewandteChemie-InternationalEdition,2019,vol.58,#36,p.12446-12450][Angew.Chem.,2019,vol.131,#36,p.12576-12580]

[7]Manick,Anne-Doriane;Tanaka,Hirotaka;Oisaki,Kounosuke;Kanai,Motomu[Synthesis,2018,vol.50,#15,p.2936-2947]

[8]Bertrand;Ferre;Gil;LePetit;Deveze[TetrahedronLetters,1980,vol.21,#18,p.1711-1714]

[9]Gu,Liangcai;Jia,Junyong;Liu,Haichuan;Hakansson,Kristina;Gerwick,WilliamH.;Sherman,DavidH.[JournaloftheAmericanChemicalSociety,2006,vol.128,#28,p.9014-9015]

[10]Derosa,Joseph;Kleinmans,Roman;Tran,VanT.;Karunananda,MalkanthiK.;Wisniewski,StevenR.;Eastgate,MartinD.;Engle,KearyM.[JournaloftheAmericanChemicalSociety,2018,vol.140,#51,p.17878-17883]

[1]Fujita,Tsutomu;Watanabe,Shoji;Suga,Kyoichi;Sugahara,Kotoji[Synthesis,1981,#12,p.1004-1005]

[2]Fujita,Tsutomu;Watanabe,Shoji;Suga,Kyoichi;Sugahara,Kotoji[Synthesis,1981,#12,p.1004-1005]

[1]JournaloftheAmericanChemicalSociety,1947,vol.69,p.160

[1]Organicletters,2002,vol.4,p.3875-3878

Literature

Title: Exclusive alpha-coupling in the aldol reaction of unsaturated trimethylsilyl esters: an efficient and practical direct synthesis of unsaturated beta-hydroxy acids.

Journal: The Journal of organic chemistry 20020809

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Tags:1617-31-8 Molecular Formula|1617-31-8 MDL|1617-31-8 SMILES|1617-31-8 3-Butenoic acid, 3-Methyl-