Name: Name:tert-Butyl 4-bromo-3-methylbenzoate
Brand: AABLOCKS
SKU: AA00I6SM
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00I6SM

Chemical Name: tert-Butyl 4-bromo-3-methylbenzoate

CAS Number: 347174-28-1

Molecular Formula: C12H15BrO2

Molecular Weight: 271.1503

MDL Number: MFCD08703429

SMILES: O=C(c1ccc(c(c1)C)Br)OC(C)(C)C

Properties

Complexity: 232

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: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.8

Downstream Synthesis Route

7697-28-1

865-47-4

347174-28-1

[1]Patent:WO2004/108687,2004,A2.Locationinpatent:Page29;31

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24424-99-5

7697-28-1

347174-28-1

[1]Patent:WO2013/29650,2013,A1.Locationinpatent:Page/Pagecolumn23;28

[2]Patent:US2014/349282,2014,A1.Locationinpatent:Paragraph0128-0131

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347174-28-1

24078-23-7

[1]Lescop,Cyrille;Müller,Claus;Mathys,Boris;Birker,Magdalena;DeKanter,Ruben;Kohl,Christopher;Hess,Patrick;Nayler,Oliver;Rey,Markus;Sieber,Patrick;Steiner,Beat;Weller,Thomas;Bolli,MartinH.[EuropeanJournalofMedicinalChemistry,2016,vol.116,p.222-238]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2009/109904,2009,A1

347174-28-1 | tert-Butyl 4-bromo-3-methylbenzoate