4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester
Synonym(s):1-Boc-4-bromomethylpiperidine
- CAS NO.：158407-04-6
- Empirical Formula: C11H20BrNO2
- Molecular Weight: 278.19
- MDL number: MFCD04115538
- SAFETY DATA SHEET (SDS)
- Update Date: 2022-12-30 16:20:48
What is 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester?
The Uses of 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester
4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly in laboratory research and development process and chemical production process.
Synthesis
4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester. 4-N-Boc-piperidine-methanol (200 mg, 0.93 mmol) was dissolved in diethyl ether (9 mL) and carbon tetrabromide (370 mg, 1.1 mmol) and PPh3 (292 mg, 1.1 mmol) were added at rt. The reaction was allowed to stir for 18 h at rt and filtered over a pad of celite. The filtrate was concentrated and purified by flash chromatography (hexane/EtOAc, 1:0 ?ú 4:1) to give the title compound. Yield 55 mg. 1 (400 MHz, DMSO-d6) |? ppm 4.02-3.98 (m, 2 H), 3.47 (d, 2 H), 2.78-2.65 (m, 2 H), 1.89-1.74 (m, 3 H), 1.45 (s, 9 H), 1.12-0.98 (m, 2 H).
Properties of 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester
| Boiling point: | 318.3±15.0 °C(Predicted) |
| Density | 1.270±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| pka | -1.91±0.40(Predicted) |
Safety information for 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester
| InChIKey | YGJXBTRLYHCWGD-UHFFFAOYSA-N |
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