(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER
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(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER
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CAS No:
433711-95-6
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Formula:
C10H13BrN2O2
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Chemical Name:
(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER
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Synonyms:
4-(BOC-AMINO)-2-BROMOPYRIDINE;2-BROMO-4-BOC PYRIDINE;(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER;2-Bromo-4-(tert-butoxycarbonylamino)pyridine;N-Boc-4-amino-2-bromopyridine;Tert-butyl 2-bromopyridin-4-ylcarbamate;Zinc02511835;(2-BROMO-PYRIDIN-4-Y
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CAS No:
(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER Basic Attributes
273.13
272.016022
DTXSID80426744
2933399090
Characteristics
51.2
2.4
white powder
1.5±0.1 g/cm3
886 °C(lit.)
299.3ºC at 760 mmHg
134.8±23.2 °C
1.573
Safety Information
IRRITANT
NONH for all modes of transport
3
22
24/25
Xi,Xn
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER Use and Manufacturing
Charge 2-bromopyridin-4-amine (100.0 g), Et3N (64.8 g) and DCM (1.0 L) into the reactionvessel, stir the reaction mixture at 20-30°C for 15-30 mm. Charge DMAP (3.5 g) into the reactionvessel, add (Boc)20 (416.3 g) dropwise into the reaction vessel. Stir the reaction vessel at 20-30°C for 16 h, check the reaction with HPLC. Wash the reaction mixture with water (2 L). Separate the organic phase and concentrate under reduced pressure to give crude product as yellow solid. Slurry the obtained solid with MeOH (300.0 mL) at 20-30°C for 30 mm, then filter to get the title compound(171.2 g) as off-white solid.
Computed Properties
Molecular Weight:273.13
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:272.01604
Monoisotopic Mass:272.01604
Topological Polar Surface Area:51.2
Heavy Atom Count:15
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2-BROMO-PYRIDIN-4-YL)CARBAMIC ACID TERT-BUTYL ESTER
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