ChemicalBook--->CAS DataBase List--->210963-04-5

210963-04-5

210963-04-5 Structure

210963-04-5 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-
[CAS]

210963-04-5
[Synonyms]

4-(((tert-Butoxycarbonyl)
4-[[Boc-(methylamino)]methyl]benzoic acid
4-((tert-butoxycarbonyl)Methyl)benzoic acid
4-((tert-butoxycarbonyl(Methyl)aMino)Methyl)benzoic acid
-(((tert-Butoxycarbonyl)(methyl)amino)methyl)benzoic acid
Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-
[Molecular Formula]

C14H19NO4
[MDL Number]

MFCD12844391
[MOL File]

210963-04-5.mol
[Molecular Weight]

265.3
Chemical PropertiesBack Directory
[Boiling point ]

402.9±34.0 °C(Predicted)
[density ]

1.163±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.28±0.10(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-(210963-04-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

4-[(Methylamino)methyl]benzoic acid

96084-38-7

Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-

210963-04-5

To a solution of 4-((methylamino)methyl)benzoic acid (compound E1) (2.55 g, 15.4 mmol) in tetrahydrofuran (THF) (93 mL) was sequentially added triethylamine (1.72 g, 17.0 mmol) and di-tert-butyl dicarbonate (Boc2O) (4.04 g, 18.5 mmol). The reaction mixture was stirred at room temperature for 1 h. The target product 4-(((tert-butoxycarbonyl)(methyl)amino)methyl)benzoic acid was purified by fast column chromatography. Yield: 1.5 g (37%), melting point: 131-133 °C.

[References]

[1] Patent: WO2006/589, 2006, A1. Location in patent: Page/Page column 54
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