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645400-44-8

645400-44-8 Structure

645400-44-8 Structure
IdentificationBack Directory
[Name]

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

645400-44-8
[Synonyms]

[(1S,3S)-3-Amino-1-(boc-amino)cyclopentane
tert-butyl ((1S,3S)-3-aminocyclopentyl)carbamate
tert-butyl N-[(1S,3S)-3-aminocyclopentyl]carbamate
Carbamic acid, N-[(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester
Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula]

C10H20N2O2
[MDL Number]

MFCD11877864
[MOL File]

645400-44-8.mol
[Molecular Weight]

200.28
Chemical PropertiesBack Directory
[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)
[Appearance]

off-white solid
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[REACH Registrations]

Active
[HS Code ]

2924297099
Hazard InformationBack Directory
[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]

Synthesis_645400-44-8
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)
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI)(645400-44-8)1HNMR
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