N-Ethyl-3-pyridinemethanamine
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N-Ethyl-3-pyridinemethanamine
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CAS No:
3000-75-7
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Formula:
C8H12N2
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Chemical Name:
N-Ethyl-3-pyridinemethanamine
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Synonyms:
3-Pyridinemethanamine,N-ethyl-;Pyridine,3-[(ethylamino)methyl]-;3-Picoline,α-ethylamino-;N-Ethyl-3-pyridinemethanamine;N-Ethyl-N-(3-pyridylmethyl)amine;N-(Pyridin-3-ylmethyl)ethylamine;N-Ethyl-N-(pyridin-3-ylmethyl)amine;N-Ethyl[(pyridin-3-yl)methyl]amine;N-Ethyl[(3-pyridyl)methyl]amine;N-(Pyridin-3-ylmethyl)ethanamine
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CAS No:
Safety Information
Ⅲ
2735
8
P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Danger|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-Ethyl-3-pyridinemethanamine Use and Manufacturing
Ethyl-pyridin-3-ylmethyl-amine : prepared by reaction of ethylamine with pyridine-3-carbaldehyde LC-MS: rt = 0.16 min, [137 (M+1, ] ES+).General procedure: 15.70g (0.147mol) of 4-pyridine-formaldehyde was dissolved in 200mL of ethanol, added under stirring in cold-water-bath with 21g (0.296mol) of 65-70percent ethylamine aqueous solution, reacted for 0.5h, monitored with TLC until the reaction was almost completed. Added carefully with 5.6g (0.148mol) of sodium borohydride in several batches, small amount in each batch, after the end of addition, added with 30mL of water, reacted overnight (20h), the reaction was completed according to TLC monitoring. Evaporated to remove solvent, added with water, extracted with dichloromethane, washed with water and saturated saline in order, dried with anhydrous sodium sulfate, evaporated to remove solvent to obtain yellow thick liquid, 30g, crude yield 73.4percent. 1H NMR(CDCl3, 400 MHz)delta: 1.14(t, 3H, J=7.00Hz), 2.66(q, 2H, J=7.00Hz), 3.81(s, 2H), 7.26-7.27(m, 2H), 8.52-8.54(m, 2H).General procedure: 15.70 g (0.147 mol) of 4-pyridine-formaldehyde was dissolved in 200 mL of ethanol, added under stirring in cold-water-bath with 21 g (0.296 mol) of 65-70percent ethylamine aqueous solution, reacted for 0.5 h, monitored with TLC until the reaction was almost completed. Added carefully with 5.6 g (0.148 mol) of sodium borohydride in several batches, small amount in each batch, after the end of addition, added with 30 mL of water, reacted overnight (20 h), the reaction was completed according to TLC monitoring. Evaporated to remove solvent, added with water, extracted with dichloromethane, washed with water and saturated saline in order, dried with anhydrous sodium sulfate, evaporated to remove solvent to obtain yellow thick liquid, 30 g, crude yield 73.4percent. 1H NMR (CDCl3, 400 MHz) delta: 1.14 (t, 3H, J=7.00 Hz), 2.66 (q, 2H, J=7.00 Hz), 3.81 (s, 2H), 7.26-7.27 (m, 2H), 8.52-8.54 (m, 2H).
Computed Properties
Molecular Weight:136.19
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:136.100048391
Monoisotopic Mass:136.100048391
Topological Polar Surface Area:24.9
Heavy Atom Count:10
Complexity:83.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes