ChemicalBook--->CAS DataBase List--->129150-68-1

129150-68-1

129150-68-1 Structure

129150-68-1 Structure
IdentificationBack Directory
[Name]

tert-butyl(3-hydroxyphenethyl)carbamate
[CAS]

129150-68-1
[Synonyms]

3-[2-(Boc-amino)ethyl]phenol
tert-butyl(3-hydroxyphenethyl)carbamate
N-(t-butoxycarbonyl)-2-(3-hydroxyphenyl)-ethylamine
Carbamic acid, N-[2-(3-hydroxyphenyl)ethyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C13H19NO3
[MDL Number]

MFCD24448669
[MOL File]

129150-68-1.mol
[Molecular Weight]

237.29
Chemical PropertiesBack Directory
[Boiling point ]

397.1±25.0 °C(Predicted)
[density ]

1.100±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

9.98±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

tert-butyl(3-hydroxyphenethyl)carbamate(129150-68-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Carbamic acid, N-[2-[3-(phenylmethoxy)phenyl]ethyl]-, 1,1-dimethylethyl ester

132513-29-2

tert-butyl(3-hydroxyphenethyl)carbamate

129150-68-1

Step B: Synthesis of tert-butyl [2-(3-hydroxyphenyl)ethyl]carbamate; 1 g of 10% Pd/C catalyst was added to a 100 mL ethanol solution containing 13 g (0.039 mol) of tert-butyl [2-(3-benzyloxyphenyl)ethyl]carbamate. The reaction mixture was subjected to hydrogenation at 40 psi hydrogen pressure overnight. Upon completion of the reaction, the catalyst was removed by filtration and washed with ethanol. Subsequently, the solvent was evaporated under reduced pressure to give 9.4 g of tert-butyl 3-hydroxyphenethylcarbamate as a colorless oil in quantitative yield.1H-NMR (CDCl3) δ: 7.22-7.12 (m, 1H); 6.78-6.66 (m, 3H); 4.56 (bs, 1H); 3.42-3.30 (m, 2H); 2.74 (t, 2H); 1.44 (s, 9H).

[References]

[1] Patent: WO2007/71311, 2007, A1. Location in patent: Page/Page column 55-56
[2] Patent: WO2014/95920, 2014, A1. Location in patent: Page/Page column 70
[3] Journal of Organic Chemistry, 1990, vol. 55, # 24, p. 6000 - 6017
[4] Patent: WO2009/68177, 2009, A1. Location in patent: Page/Page column 39
[5] Patent: US2010/210631, 2010, A1. Location in patent: Page/Page column 14
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