| Identification | Back Directory | [Name]
(2-BROMO-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER | [CAS]
116026-98-3 | [Synonyms]
Zinc04352714
2-BROMO-3-N-BOC-AMINOPYRIDINE
3-(BOC-AMINO)-2-BROMOPYRIDINE
TERT-BUTYL 2-BROMOPYRIDIN-3-YLCARBAMATE
tert-butyl N-(2-broMopyridin-3-yl)carbaMate
tert-Butyl 2-bromopyridin-3-ylcarbamate ,97%
2-bromo-3-[N-(t-butyloxycarbonylamino]pyridine
2-Bromo-3[N-（tert-butyloxycar-bonyl)amino]pyridine
(2-BROMO-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
N-(2-bromo-3-pyridinyl)carbamic acid tert-butyl ester
(2-BROMO-3-PYRIDINYL)CARBAMIC ACID, 1,1-DIMETHYL ETHYL ESTER
Carbamic acid, N-(2-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester | [Molecular Formula]
C10H13BrN2O2 | [MDL Number]
MFCD07367911 | [MOL File]
116026-98-3.mol | [Molecular Weight]
273.13 |
| Chemical Properties | Back Directory | [Melting point ]
84-85°C | [Boiling point ]
298.9±25.0 °C(Predicted) | [density ]
1.453±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
solid | [pka]
12.00±0.70(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14) | [InChIKey]
QYWNZOFKKFIZAL-UHFFFAOYSA-N | [SMILES]
CC(C)(C)OC(=O)Nc1cccnc1Br |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
22 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis]
Step 1: Synthesis of tert-butyl 2-bromopyridin-3-ylcarbamate (10a)
To a solution of 2-bromopyridin-3-amine (3.0 g, 17.3 mmol) in tetrahydrofuran (THF, 30 mL) was slowly added lithium bis(trimethylsilyl)carbamate (1M, 35 mL, 35 mmol) at 0 °C. The reaction mixture was stirred at this temperature for 30 minutes. Subsequently, a solution of di-tert-butyl dicarbonate (Boc2O, 3.9 g, 17.3 mmol) in THF (20 mL) was added and the mixture was stirred at room temperature for 1.5 hours. Upon completion of the reaction, the reaction mixture was poured into 0.1 M hydrochloric acid (HCl) and extracted with ethyl acetate (EA). The organic layers were combined, washed with saturated saline (brine), dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by column chromatography (CC, petroleum ether/ethyl acetate = 5/1) to afford the target compound 10a (2.9 g, 62% yield) as a white solid. | [References]
[1] Journal of Medicinal Chemistry, 2009, vol. 52, # 16, p. 5032 - 5043
[2] Patent: WO2013/64231, 2013, A1. Location in patent: Page/Page column 51
[3] Patent: US2013/131036, 2013, A1. Location in patent: Paragraph 1676; 1677
[4] Patent: WO2013/62966, 2013, A2. Location in patent: Paragraph 203; 204
[5] Patent: WO2005/21529, 2005, A1. Location in patent: Page/Page column 31 |
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