Piperidine, 4-bromo-, hydrobromide (1:1)
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Piperidine, 4-bromo-, hydrobromide (1:1)
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CAS No:
54288-70-9
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Formula:
C5H10BrN.BrH
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Chemical Name:
Piperidine, 4-bromo-, hydrobromide (1:1)
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Synonyms:
Piperidine,4-bromo-,hydrobromide (1:1);Piperidine,4-bromo-,hydrobromide;4-Bromopiperidine hydrobromide
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CAS No:
Safety Information
NONH for all modes of transport
3
36/37/38-36
37/39-26
Xi
P305 + P351 + P338
H319
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Piperidine, 4-bromo-, hydrobromide (1:1) Use and Manufacturing
Step 1: Synthesis of 4-Bromo-piperidine-1-carboxylic acid tert-butyl ester To a suspension of 5 g (0.02 mol) of To a suspension of 5 g (0.02 mol) of Compound 29 salt in DCM (35 mL) are added 7.09 mL (0.04 mol) of N, N-diisopropylethyl amine dropwise at 0° C. The reaction mixture is stirred for 30 min, then a solution of 6.67 g (0.31 mol) of di-tert-butyl dicarbonate in DCM (35 mL) is added dropwise to the reaction mixture. The reaction mixture is stirred for 18 h at room temperature, washed with 1M aqueous HCl solution (2.x.30 mL) and brine (30 mL). The organic layer is dried over Na2SO4, filtered and the filtrate is concentrated under reduced pressure to afford 6.9 g of Compound 30 as a yellow oil. Yield quantitative; 1H NMR (250 MHz, CHLOROFORM-d) delta ppm 1.46 (9H, s), 1.79-2.00 (2H, m), 2.00-2.16 (2H, m), 3.31 (2H, ddd, J=13.67, 7.73, 3.73 Hz), 3.68 (2H, ddd, J=13.55, 6.85, 3.65 Hz), 4.34 (1H, tt, J=7.69, 3.81 Hz).Triethylamine (2.3 mL, 16.3 mmol) and di-tert-butyl dicarbonate (1.9 g, 8.6 mmol) were added to astirred suspension of
Computed Properties
Molecular Weight:244.96
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:244.92378
Monoisotopic Mass:242.92582
Topological Polar Surface Area:12
Heavy Atom Count:8
Complexity:50
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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