Name: Name:Methyl 3-(dimethylcarbamoyl)benzoate
Brand: AABLOCKS
SKU: AA00FGUY
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00FGUY

Chemical Name: Methyl 3-(dimethylcarbamoyl)benzoate

CAS Number: 69383-71-7

Molecular Formula: C11H13NO3

Molecular Weight: 207.2258

MDL Number: MFCD16594348

SMILES: COC(=O)c1cccc(c1)C(=O)N(C)C

Properties

Complexity: 250

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.8

Downstream Synthesis Route

1877-71-0

124-40-3

69383-71-7

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-DE2821410,1978,A1[Chem.Abstr.,1979,vol.90,#121258][Chem.Abstr.,1979,vol.90,#121258]

[2]CurrentPatentAssignee:SCRIPPSRESEARCH;EXPANSIONTHERAPEUTICS;ANDYJENNINGSCONSULTING-WO2019/99777,2019,A2Locationinpatent:Paragraph00738-00740

1877-71-0

506-59-2

69383-71-7

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1466898,2004,A1Locationinpatent:Page71

69383-71-7

283608-49-1

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP1466898,2004,A1Locationinpatent:Page72

1459-93-4

124-40-3

69383-71-7

[1]CurrentPatentAssignee:KyowaKirin(in:KirinHoldings);KIRINHOLDINGSCO.,LTD.-EP1700856,2006,A1Locationinpatent:Page/Pagecolumn135

69383-71-7

858981-15-4

[1]Keurulainen,Leena;Vahermo,Mikko;Puente-Felipe,Margarita;Sandoval-Izquierdo,Elena;Crespo-Fernández,Benigno;Guijarro-López,Laura;Huertas-Valentín,Leticia;DeLasHeras-Dueña,Laura;Leino,TeppoO.;Siiskonen,Antti;Ballell-Pages,Lluís;Sanz,LauraM.;Castañeda-Casado,Pablo;Jiménez-Díaz,M.Belén;Martínez-Martínez,MaríaS.;Viera,Sara;Kiuru,Paula;Calderón,Félix;Yli-Kauhaluoma,Jari[JournalofMedicinalChemistry,2015,vol.58,#11,p.4573-4580]

[2]CurrentPatentAssignee:KIRINHOLDINGSCO.,LTD.;KyowaKirin(in:KirinHoldings)-EP1700856,2006,A1Locationinpatent:Page/Pagecolumn136

[3]Locationinpatent:experimentalpartParik,Patrik;Kulhanek,Jiri;Ludwig,Miroslav;Wagner,Roman;Rotrekl,Ivan;Drahonovsky,Dusan;Meca,Ludek;Smidkova,Marketa;Tobrman,Tomas;Dvorak,Dalimil[Organometallics,2010,vol.29,#18,p.4135-4138]

69383-71-7 | Methyl 3-(dimethylcarbamoyl)benzoate