Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI) Chemical Properties

Boiling point:

304.2±31.0 °C(Predicted)

Density 

1.04±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

pka

12.37±0.40(Predicted)

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m0/s1

InChIKey

PGBVMVTUWHCOHX-YUMQZZPRSA-N

SMILES

C(OC(C)(C)C)(=O)N[C@H]1CC[C@H](N)C1

Safety Information

HS Code 

2924297099

Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI) Usage And Synthesis

Uses

tert-butyl N-[(1S,3S)-3-aminocyclopentyl]carbamate is used as a reactant in the synthesis of C-2 hydroxyethyl imidazopyrrolo pyridines as JAK1 inhibitors.

Synthesis

A flask containing tert-butyl [(1S,3S)-3-aminocyclopentyl]carbamate (16.5 g, crude ~0.05 mol) and 1.7 g Pd-C (10% paste) in MeOH (300 mL) was exposed to a positive pressure of hydrogen gas (balloon) over weekend. The catalyst was filtered off and the mixture was concentrated to afford the title compound (9.5 g) as a thick colorless viscous oil. Tert-butyl [(1S,3S)-3-aminocyclopentyl]carbamate, Yield (9.5 g)