| Identification | Back Directory | [Name]
tert-Butyl 3-aminobenzylcarbamate | [CAS]
147291-66-5 | [Synonyms]
178769
3-Amino-N-Boc-benzylamine
α-(Boc-amino)-m-toluidine
alpha-(Boc-amino)-m-toluidine
tert-Butyl 3-aminobenzylcarbamate
3-(Aminomethyl)aniline, 3-BOC protected
3-Amino-N-(tert-butoxycarbonyl)benzylamine
3-[(tert-Butoxycarbonylamino)methyl]aniline
alpha-(tert-Butoxycarbonyl)amino-m-toluidine
tert-Butyl 3-aminobenzylcarbamate AldrichCPR
(3-Aminobenzyl)carbamic acid tert-butyl ester
tert-butyl N-[(3-aMinophenyl)Methyl]carbaMate
3-Amino-N-(tert-butoxycarbonyl)benzylamine >
N-(3-aMinophenylMethyl)carbaMic acid t-butyl ester
3-Amino-N-(tert-butoxycarbonyl)benzylamine
Carbamic acid,N-[(3-aminophenyl)methyl]-, 1,1-dimethylethyl ester
tert-Butyl (3-aminobenzyl)carbamate, 3-{[(tert-Butoxycarbonyl)amino]methyl}aniline | [EINECS(EC#)]
200-110-4 | [Molecular Formula]
C12H18N2O2 | [MDL Number]
MFCD04974010 | [MOL File]
147291-66-5.mol | [Molecular Weight]
222.284 |
| Chemical Properties | Back Directory | [Melting point ]
48.0 to 56.0 °C | [Boiling point ]
386.0±25.0 °C(Predicted) | [density ]
1.095±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
12.31±0.46(Predicted) | [color ]
White to Light yellow |
| Hazard Information | Back Directory | [Synthesis]
Step 2: Synthesis of tert-butyl 3-aminobenzylcarbamate (3); To a solution of tert-butyl 3-nitrobenzylcarbamate (2, 0.69 g, 2.73 mmol) in ethanol (20 mL) was added 10% Pd-C (50 mg), and the resulting mixture was stirred for 30 min at room temperature under hydrogen atmosphere. The reaction progress was monitored by thin layer chromatography (TLC). After completion of the reaction, the reaction mixture was filtered through diatomaceous earth and washed with ethanol. Ethanol was evaporated from the filtrate under reduced pressure to give tert-butyl 3-aminobenzylcarbamate (3, 0.6 g, 98%). NMR hydrogen spectrum (400 MHz, CDCl3): δ 7.22 (s, 1H), 7.10-7.00 (t, 1H), 6.70-6.60 (d, 1H), 6.60-6.50 (m, 1H), 4.20 (bs, 2H), 1.40 (s, 9H). | [References]
[1] Patent: WO2011/140338, 2011, A1. Location in patent: Page/Page column 60-61
[2] Chemical Communications, 2014, vol. 50, # 97, p. 15305 - 15308
[3] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 19, p. 4189 - 4206
[4] Journal of Medicinal Chemistry, 1998, vol. 41, # 15, p. 2858 - 2871
[5] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 6, p. 883 - 886 |
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