Name: Name:Methyl 3-(benzyloxy)-4-nitrobenzoate
Brand: AABLOCKS
SKU: AA002K79
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002K79

Chemical Name: Methyl 3-(benzyloxy)-4-nitrobenzoate

CAS Number: 209528-69-8

Molecular Formula: C15H13NO5

Molecular Weight: 287.2674

MDL Number: MFCD12827787

SMILES: COC(=O)c1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]

Properties

Complexity: 362

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 21

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.1

Downstream Synthesis Route

209528-69-8

475215-88-4

[1]Locationinpatent:bodytextBörger,Carsten;Knölker,Hans-Joachim[Synlett,2008,#11,p.1698-1702]

[2]Locationinpatent:experimentalpartBörger,Carsten;Knölker,Hans-Joachim[Tetrahedron,2012,vol.68,#33,p.6727-6736]

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/103088,2006,A1Locationinpatent:Page/Pagecolumn23

[4]CurrentPatentAssignee:SZEGEDBIOLOGICALRESEARCHCENTER;UNIVERSITYOFLJUBLJANA-WO2020/48949,2020,A1Locationinpatent:Page/Pagecolumn62

[5]Murphy,NatashaS.;Prabhakaran,Panchami;Azzarito,Valeria;Plante,JeffreyP.;Hardie,MichaeleJ.;Kilner,ColinA.;Warriner,StuartL.;Wilson,AndrewJ.[Chemistry-AEuropeanJournal,2013,vol.19,#18,p.5546-5550]

[6]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synlett,2005,#20,p.3071-3074]

[7]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synthesis,2006,#20,p.3467-3477]

[8]Bavinton,ClementineE.;Hamilton,AndrewD.;Knipe,PeterC.;Luo,Jinghui;Sternke-Hoffmann,Rebecca;Thompson,Sam;Yamashita,Tohru[ChemicalCommunications,2022,vol.58,#33,p.5132-5135]

713-52-0

100-39-0

209528-69-8

[1]Locationinpatent:bodytextBörger,Carsten;Knölker,Hans-Joachim[Synlett,2008,#11,p.1698-1702]

[2]Locationinpatent:experimentalpartBörger,Carsten;Knölker,Hans-Joachim[Tetrahedron,2012,vol.68,#33,p.6727-6736]

[3]CurrentPatentAssignee:PROTEGOBIOPHARMA-WO2021/154842,2021,A1Locationinpatent:Paragraph0871-0874

[4]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synlett,2005,#20,p.3071-3074]

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/103088,2006,A1Locationinpatent:Page/Pagecolumn23

[6]CurrentPatentAssignee:SZEGEDBIOLOGICALRESEARCHCENTER;UNIVERSITYOFLJUBLJANA-WO2020/48949,2020,A1Locationinpatent:Page/Pagecolumn62

[7]Durcik,Martina;Tammela,Päivi;Barančoková,Michaela;Tomašič,Tihomir;Ilaš,Janez;Kikelj,Danijel;Zidar,Nace[ChemMedChem,2018,vol.13,#2,p.186-198]

[8]CurrentPatentAssignee:UNIVERSITYOFLJUBLJANA-WO2022/129327,2022,A1Locationinpatent:Page/Pagecolumn92

[9]CurrentPatentAssignee:UNIVERSITYOFLJUBLJANA-WO2022/129327,2022,A1Locationinpatent:Page/Pagecolumn92

[10]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synthesis,2006,#20,p.3467-3477]

[11]CurrentPatentAssignee:PFIZERINC-US2003/96826,2003,A1

[12]Prabhakaran,Panchami;Azzarito,Valeria;Jacobs,Tia;Hardie,MichaeleJ.;Kilner,ColinA.;Edwards,ThomasA.;Warriner,StuartL.;Wilson,AndrewJ.[Tetrahedron,2012,vol.68,#23,p.4485-4491]

[13]Azzarito,Valeria;Prabhakaran,Panchami;Bartlett,AliceI.;Murphy,NatashaS.;Hardie,MichaeleJ.;Kilner,ColinA.;Edwards,ThomasA.;Warriner,StuartL.;Wilson,AndrewJ.[OrganicandBiomolecularChemistry,2012,vol.10,#32,p.6469-6472]

[14]Chen,Lijia;Yap,JeremyL.;Yoshioka,Makoto;Lanning,MaryannaE.;Fountain,RachelN.;Raje,Mithun;Scheenstra,JacobA.;Strovel,JeffreyW.;Fletcher,Steven[ACSMedicinalChemistryLetters,2015,vol.6,#7,p.764-769]

[15]Raj,GaneshV.;Sareddy,GangadharaReddy;Ma,Shihong;Lee,Tae-Kyung;Viswanadhapalli,Suryavathi;Li,Rui;Liu,Xihui;Murakami,Shino;Chen,Chien-Cheng;Lee,Wan-Ru;Mann,Monica;Krishnan,SamayaRajeshwari;Manandhar,Bikash;Gonugunta,VijayK.;Strand,Douglas;Tekmal,RajeshwarRao;Ahn,Jung-Mo;Vadlamudi,RatnaK.[eLife,2017,vol.6]

209528-69-8

881909-64-4

[1]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synthesis,2006,#20,p.3467-3477]

[2]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synlett,2005,#20,p.3071-3074]

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/103088,2006,A1

209528-69-8

881909-58-6

[1]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synthesis,2006,#20,p.3467-3477]

[2]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synlett,2005,#20,p.3071-3074]

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/103088,2006,A1

209528-69-8

881909-62-2

[1]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synthesis,2006,#20,p.3467-3477]

[2]Charrier,Nicolas;Demont,Emmanuel;Dunsdon,Rachel;Maile,Graham;Naylor,Alan;O'Brien,Alistair;Redshaw,Sally;Theobald,Pam;Vesey,David;Walter,Daryl[Synlett,2005,#20,p.3071-3074]

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/103088,2006,A1

209528-69-8 | Methyl 3-(benzyloxy)-4-nitrobenzoate