| Identification | Back Directory | [Name]
5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOROPYRIDINE | [CAS]
171178-45-3 | [Synonyms]
N-Boc-6-chloro-3-pyridinamine
3-(Boc-amino)-6-chloropyridine
5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOR
ert-butylN-(6-chloropyridin-3-yl)carbamate
5-tert-ButoxycarbonylaMino-2-chloropyridine
tert-butyl N-(6-chloropyridin-3-yl)carbamate
5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOROPYRIDINE
5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine ,98%
N-(6-chloro-3-pyridinyl)carbamic acid tert-butyl ester
(6-chloro-pyridin-3-yl)-carbamic acid, tert-butyl ester
Carbamic acid, N-(6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester
5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOROPYRIDINE ISO 9001：2015 REACH | [Molecular Formula]
C10H13ClN2O2 | [MDL Number]
MFCD08062421 | [MOL File]
171178-45-3.mol | [Molecular Weight]
228.68 |
| Chemical Properties | Back Directory | [Melting point ]
127-129°C | [Boiling point ]
283.7±25.0 °C(Predicted) | [density ]
1.245±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
12.06±0.70(Predicted) | [Appearance]
Light brown to light purple Solid | [InChI]
InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14) | [InChIKey]
IRHNQVINMHHEIO-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)NC1=CC=C(Cl)N=C1 |
| Hazard Information | Back Directory | [Synthesis]
Step a: To a solution of dichloromethane (200 mL) containing 6-chloropyridin-3-amine (30.0 g, 0.23 mol), DMAP (1 g), and Et3N (41.7 g, 0.47 mol) was slowly added Boc2O (54.5 g, 0.25 mol) at 0 °C. The reaction mixture was gradually warmed to room temperature and stirred overnight. Upon completion of the reaction, the reaction mixture was washed with saturated NaHCO3 solution. The aqueous phase was extracted with dichloromethane and the combined organic phases were washed with brine (100 mL) and dried over anhydrous Na2SO4. Concentration of the organic phase under reduced pressure afforded tert-butyl 6-chloropyridin-3-ylcarbamate (50.0 g, 94% yield), the product was used directly for the next reaction without further purification.1H NMR (300 MHz, CDCl3) δ 8.23 (d, J=2.7 Hz, 1H), 7.97 (d, J=6.9 Hz, 1H), 7.27-7.24 (m, 1H), 6.58 (m, 1H), 7.25 (m, 1H), 6.25 (m, 1H), 6.25 (m, 1H). 1H), 6.58 (s, 1H), 1.52 (s, 9H). | [References]
[1] Inorganic Chemistry, 2017, vol. 56, # 14, p. 8381 - 8389
[2] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 9, p. 1233 - 1236
[3] Patent: US2002/22624, 2002, A1
[4] Patent: US2009/253736, 2009, A1. Location in patent: Page/Page column 24
[5] Patent: US2007/249615, 2007, A1. Location in patent: Page/Page column 29; 31; 34 |
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