Name: Name:Methyl 4-hydroxymethylcubanecarboxylate
Brand: AABLOCKS
SKU: AA00EB5A
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00EB5A

Chemical Name: Methyl 4-hydroxymethylcubanecarboxylate

CAS Number: 60462-19-3

Molecular Formula: C11H12O3

Molecular Weight: 192.2112

MDL Number: MFCD08458190

SMILES: OCC12C3C4C2C2C1C3C42C(=O)OC

Properties

Form: Solid

Storage: Room Temperature;Keep in dry area;

Complexity: 340

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: -0.2

Downstream Synthesis Route

24539-28-4

60462-19-3

[1]CurrentPatentAssignee:PRESCIENTNEUROPHARMA-WO2004/24709,2004,A2Locationinpatent:Page49-50

[2]CurrentPatentAssignee:PRESCIENTNEUROPHARMA-US2004/147482,2004,A1Locationinpatent:Page11-12

[3]CurrentPatentAssignee:MEDKURA-WO2007/59330,2007,A2Locationinpatent:Page/Pagecolumn40-41

[4]Houston,SevanD.;Xing,Hui;Bernhardt,PaulV.;VandenBerg,TimothyJ.;Tsanaktsidis,John;Savage,G.Paul;Williams,CraigM.[Chemistry-AEuropeanJournal,2019,vol.25,#11,p.2735-2739]

[5]Xing,Hui;Houston,SevanD.;Chen,Xuejie;Jin,Da-Yun;Savage,G.Paul;Tie,Jian-Ke;Williams,CraigM.[BioorganicandMedicinalChemistryLetters,2019,vol.29,#15,p.1954-1956]

[6]Sarkar,Md.Raihan;Houston,SevanD.;Savage,G.Paul;Williams,CraigM.;Krenske,ElizabethH.;Bell,StephenG.;DeVoss,JamesJ.[JournaloftheAmericanChemicalSociety,2019,vol.141,#50,p.19688-19699]

[7]Locationinpatent:experimentalpartMcGonagle,AlisonE.;Savage,G.Paul[AustralianJournalofChemistry,2009,vol.62,#2,p.145-149]

[8]Collin,DiegoE.;Folgueiras-Amador,AnaA.;Pletcher,Derek;Light,MarkE.;Linclau,Bruno;Brown,RichardC.D.[Chemistry-AEuropeanJournal,2020,vol.26,#2,p.374-378]

[9]Harris,Benjamin;Savage,G.Paul;White,JonathanM.[OrganicandBiomolecularChemistry,2013,vol.11,#19,p.3151-3158]

[10]Nicolaou,KyriacosC.;Vourloumis,Dionisios;Totokotsopoulos,Sotirios;Papakyriakou,Athanasios;Karsunky,Holger;Fernando,Hanan;Gavrilyuk,Julia;Webb,Damien;Stepan,AntoniaF.[ChemMedChem,2016,vol.11,#1,p.31-37]

[11]Wlochal,Joanna;Davies,RobertD.M.;Burton,Jonathan[OrganicLetters,2014,vol.16,#16,p.4094-4097]

[12]Dallaston,MadeleineA.;Houston,SevanD.;Williams,CraigM.[Chemistry-AEuropeanJournal,2020,vol.26,#52,p.11966-11970]

[13]AlHussainy,Rana;Verbeek,Joost;VanDerBorn,Dion;Booij,Jan;Herscheid[EuropeanJournalofMedicinalChemistry,2011,vol.46,#12,p.5728-5735]

[14]Pellicciari,Roberto;Costantino,Gabriele;Giovagnoni,Emiliano;Mattoli,Luisa;Brabet,Isabelle;Pin,Jean-Philippe[BioorganicandMedicinalChemistryLetters,1998,vol.8,#12,p.1569-1574]

29412-62-2

60462-19-3

[1]BioorganicandMedicinalChemistryLetters,1998,vol.8,p.1569-1574

[2]OrganicandBiomolecularChemistry,2013,vol.11,p.3151-3158

[3]OrganicLetters,2014,vol.16,p.4094-4097

[4]Chemistry-AEuropeanJournal,2019,vol.25,p.2735-2739

[5]BioorganicandMedicinalChemistryLetters,2019,vol.29,p.1954-1956

60462-19-3

1439-36-7

C14H14O3

[1]Xing,Hui;Houston,SevanD.;Chen,Xuejie;Jin,Da-Yun;Savage,G.Paul;Tie,Jian-Ke;Williams,CraigM.[BioorganicandMedicinalChemistryLetters,2019,vol.29,#15,p.1954-1956]

60462-19-3 | Methyl 4-hydroxymethylcubanecarboxylate