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[ CAS No. 1185088-10-1 ]

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2D
Chemical Structure| 1185088-10-1
Chemical Structure| 1185088-10-1
Structure of 1185088-10-1 *Storage: {[proInfo.prStorage]}

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Product Details of [ 1185088-10-1 ]

CAS No. :1185088-10-1MDL No. :MFCD07368304
Formula : C8H18ClNO Boiling Point : -
Linear Structure Formula :-InChI Key :DIFYKXCYHJPLLJ-UHFFFAOYSA-N
M.W :179.69Pubchem ID :46735742
Synonyms :

Computed Properties of [ 1185088-10-1 ]

TPSA : 21.3 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 2
SP3 : 1.00 Rotatable Bond Count : 3

Safety of [ 1185088-10-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1185088-10-1 ]

  • Upstream synthesis route of [ 1185088-10-1 ]
  • Downstream synthetic route of [ 1185088-10-1 ]

[ 1185088-10-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 114-91-0 ]
  • [ 1185088-10-1 ]
YieldReaction ConditionsOperation in experiment
10% With hydrogenchloride; hydrogen In ethanol for 15.00 h; Parr shaker Preparation 15 Preparation of 2-(2-methoxyethyl)piperidine hydrochloride salt.To a solution of 2-(2-methoxyethyl)pyridine (25 g, 182 mmol) in absolute ethanol (120 mL) was carefully added concentrated hydrochloric acid (5 mL) followed by platinum oxide (1.1 g, 4.8 mmol). The mixture was shaken for 15 h in a Parr shaker pressurized with hydrogen gas to 50 psig. The reaction solution was filtered through Celite.(TM)., and the filtrate was concentrated under reduced pressure. The residue was dissolved in water and extracted sequentially with dichloromethane and ethyl acetate. The extracts were combined and concentrated under reduced pressure to give unreacted starting material. The aqueous solution was concentrated under reduced pressure to afford the hydrochloride salt product as a white solid (3.14g, 10percent). The product was used in a subsequent reaction without further purification. 1H NMR (400 MHz, D2O): δ 1.25-1.55 (m, 3H), 1.65-1.90 (m, 5H), 2.75-2.83 (m, 1 H), 3.05-3.15 (m, 1 H), 3.14- 3.23 (m, 4H), 3.41-3.50 (m, 2H).
Reference: [1] Patent: WO2010/67233, 2010, A1. Location in patent: Page/Page column 60
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