| Identification | Back Directory | [Name]
(S)-[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER | [CAS]
847728-89-6 | [Synonyms]
(S)-N-Boc-1-(4-broMophenyl)ethylaMine
(S)-tert-butyl 1-(4-broMophenyl)ethylcarbaMate
tert-Butyl [(S)-1-(4-bromophenyl)ethyl]carbamate
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate
(S)-[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
CarbaMic acid, [(1S)-1-(4-broMophenyl)ethyl]-, 1,1-diMethylethyl ester
Carbamic acid, N-[(1S)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester | [Molecular Formula]
C13H18BrNO2 | [MDL Number]
MFCD11506011 | [MOL File]
847728-89-6.mol | [Molecular Weight]
300.19 |
| Chemical Properties | Back Directory | [Boiling point ]
383.1±25.0 °C(Predicted) | [density ]
1.282±0.06 g/cm3 (20 ºC 760 Torr) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
11.94±0.46(Predicted) | [InChI]
InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1 | [InChIKey]
KECPRZHCNCDSET-VIFPVBQESA-N | [SMILES]
C(OC(C)(C)C)(=O)N[C@H](C1=CC=C(Br)C=C1)C |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of tert-butyl (S)-[1-(4-bromophenyl)-ethyl]-carbamate from di-tert-butyl dicarbonate and (S)-1-(4-bromophenyl)ethylamine: At room temperature, di-tert-butyl dicarbonate (0.33 g, 1.5 mmol) was added to a methylene chloride (5 mL) (1.5 mmol) solution of (S)-1-(4-bromophenyl)ethylamine (0.30 g, 1.5 mmol). ) solution and the reaction mixture was stirred overnight. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure to afford the target product tert-butyl (S)-[1-(4-bromophenyl)-ethyl]-carbamate (0.45 g, 1.5 mmol, 100% yield). Mass spectrum (ESI) m/z 300 (M + H)+. | [References]
[1] Patent: US2015/284375, 2015, A1. Location in patent: Paragraph 0302; 0303
[2] Patent: WO2016/124939, 2016, A1. Location in patent: Paragraph 00337; 00338
[3] Patent: WO2014/4229, 2014, A1. Location in patent: Page/Page column 8
[4] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3176 - 3178
[5] Patent: WO2016/118666, 2016, A1. Location in patent: Paragraph 0417; 0418; 0419 |
|
|