1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
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1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
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CAS No:
159275-17-9
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Formula:
C14H18BrNO2
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Chemical Name:
1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
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Synonyms:
1-Piperidinecarboxylic acid,4-(bromomethyl)-,phenylmethyl ester;N-Benzyloxycarbonyl-4-bromomethylpiperidine;4-Bromomethylpiperidine-1-carboxylic acid benzyl ester;1-Benzyloxycarbonyl-4-bromomethylpiperidine;Benzyl 4-(bromomethyl)piperidine-1-carboxylate;Phenylmethyl 4-(bromomethyl)-1-piperidinecarboxylate
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CAS No:
1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester Basic Attributes
312.2
312.20
DTXSID40379944
2933399090
Characteristics
29.5
3.1
1.4±0.1 g/cm3
68 °C
403.4°C at 760 mmHg
197.8±24.0 °C
1.561
1.02E-06mmHg at 25°C
Safety Information
36/37/38-34
26-36/37/39-45
Xi,C
Irritant
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester Use and Manufacturing
To a 500 ml three neck round bottomed flask under nitrogen atmosphere, benzyl 4- (hydroxymethyl) piperidine- l-carboxylate (10 g, 40.1 1 mmol) was dissolved in CH2CI2 (100 ml) and cooled to 0 °C. Triphenyl phosphine (13.7 g, 52.14 mmol) in CH2CI2 (50 ml) was added to the reaction mixture and stirred at 0 °C for 20 minutes. Carbon tetra bromide (16 g, 48.13 mmol) in CH2CI2 (50 ml) was added to reaction mixture which was stirred at rt for 3 h. The reaction mixture was diluted with CH2CI2 and washed with water. Organic layer was dried over sodium sulfate and concentrated under vacuum and purified by column chromatography to give 10 g of benzyl 4-(bromomethyl) piperidine- l-carboxylate.
Computed Properties
Molecular Weight:312.20
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:311.05209
Monoisotopic Mass:311.05209
Topological Polar Surface Area:29.5
Heavy Atom Count:18
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
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