1-(Phenylmethyl)-4-piperidinecarboxylic acid
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1-(Phenylmethyl)-4-piperidinecarboxylic acid
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CAS No:
10315-07-8
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Formula:
C13H17NO2
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Chemical Name:
1-(Phenylmethyl)-4-piperidinecarboxylic acid
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Synonyms:
4-Piperidinecarboxylic acid,1-(phenylmethyl)-;Isonipecotic acid,1-benzyl-;1-(Phenylmethyl)-4-piperidinecarboxylic acid;1-Benzyl-4-piperidinecarboxylic acid;N-Benzylpiperidine-4-carboxylic acid;N-Benzyl-isonipecotic acid
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CAS No:
1-(Phenylmethyl)-4-piperidinecarboxylic acid Basic Attributes
219.28
219.28
DTXSID30405802
2933399090
Characteristics
40.5
-0.5
1.165
169.0-170.5 °C
358.6±35.0 °C(Predicted)
170.7±25.9 °C
1.572
9.13E-06mmHg at 25°C
Safety Information
22
Xi,Xn
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(Phenylmethyl)-4-piperidinecarboxylic acid Use and Manufacturing
(b) Step 1: 775 g of 1, 2-dichloroethane was added to a 2000 ml reaction flask.129.16 g of 4-piperidinecarboxylic acid and 131.55 g of triethylamine are added with stirring.Controlled temperature below 20 °C added benzyl chloride 189.87g.After the dripping is slowly heated up to 83.5°C, the reaction is refluxed for 10h.The reaction solution was dropped to room temperature and stirred with 300 g of water.The liquid was separated; the organic layer was washed with 150 g of saturated saline, and the organic layer was collected and dried;The filtrate was filtered and concentrated to give an oil of N-benzyl-4-piperidinecarboxylic acid 201.96 g;Molar yield 92.1percent, The liquid purity is 97.21percent.
Computed Properties
Molecular Weight:219.28
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:219.125928785
Monoisotopic Mass:219.125928785
Topological Polar Surface Area:40.5
Heavy Atom Count:16
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(Phenylmethyl)-4-piperidinecarboxylic acid
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