(S)-[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER Chemical Properties

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

(S)-[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER Usage And Synthesis

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

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