Name: Name:4-(1,3-Dioxoisoindolin-2-yl)butanal
Brand: AABLOCKS
SKU: AA00CIRQ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00CIRQ

Chemical Name: 4-(1,3-Dioxoisoindolin-2-yl)butanal

CAS Number: 3598-60-5

Molecular Formula: C12H11NO3

Molecular Weight: 217.2206

MDL Number: MFCD00454178

SMILES: O=CCCCN1C(=O)c2c(C1=O)cccc2

Properties

Complexity: 289

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.3

Downstream Synthesis Route

10314-06-4

3598-60-5

[1]Balenovicetal.[JournalofOrganicChemistry,1952,vol.17,p.1459,1460]

[2]Baylis,E.Keith;Campbell,ColinD.;Dingwall,JohnG.[JournaloftheChemicalSociety.PerkintransactionsI,1984,p.2845-2853]

[3]King;L'Ecuyer;Openshaw[JournaloftheChemicalSociety,1936,p.352]

[4]Crawford,JasonB.;Chen,Gang;Gauthier,David;Wilson,Trevor;Carpenter,Bryon;Baird,IanR.;McEachern,Ernie;Kaller,Alan;Harwig,Curtis;Atsma,Bem;Skerlj,RenatoT.;Bridger,GaryJ.[OrganicProcessResearchandDevelopment,2008,vol.12,#5,p.823-830]

109-80-8

3598-60-5

89036-42-0

[1]Wada,Masao;Nakai,Hideo;Sato,Yasuhiko;Hatanaka,Yasumaru;Kanaoka,Yuichi[Tetrahedron,1983,vol.39,#16,p.2691-2698]

101-02-0

3598-60-5

621-84-1

149194-43-4

[1]Joossens;VanDerVeken;Lambeir;Augustyns;Haemers[JournalofMedicinalChemistry,2004,vol.47,#10,p.2411-2413]

[2]Hamilton;Walker;Walker[TetrahedronLetters,1993,vol.34,#17,p.2847-2850]

[3]Jackson,DelwinS.;Fraser,StephanieA.;Ni,Li-Ming;Kam,Chih-Min;Winkler,Ulrike;Johnson,DavidA.;Froelich,ChristopherJ.;Hudig,Dorothy;Powers,JamesC.[JournalofMedicinalChemistry,1998,vol.41,#13,p.2289-2301]

[4]Sieńczyk,Marcin;Kliszczak,Maciej;Oleksyszyn,Józef[TetrahedronLetters,2006,vol.47,#25,p.4209-4211]

[5]CurrentPatentAssignee:PROAXSISLTD-US9340820,2016,B2Locationinpatent:Page/Pagecolumn15;16

3598-60-5

54454-57-8

94830-02-1

[1]Vinograd,L.Kh.;Suvorov,N.N.[ChemistryofHeterocyclicCompounds,1984,vol.20,#9,p.984-988][KhimiyaGeterotsiklicheskikhSoedinenii,1984,vol.20,#9,p.1206-1210]

3598-60-5

41978-94-3

94830-01-0

[1]Vinograd,L.Kh.;Suvorov,N.N.[ChemistryofHeterocyclicCompounds,1984,vol.20,#9,p.984-988][KhimiyaGeterotsiklicheskikhSoedinenii,1984,vol.20,#9,p.1206-1210]

3598-60-5 | 4-(1,3-Dioxoisoindolin-2-yl)butanal