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[ CAS No. 1071727-78-0 ]

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2D
Chemical Structure| 1071727-78-0
Chemical Structure| 1071727-78-0
Structure of 1071727-78-0 *Storage: {[proInfo.prStorage]}

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Product Details of [ 1071727-78-0 ]

CAS No. :1071727-78-0MDL No. :MFCD28975314
Formula : C9H10N2O Boiling Point : 280.3±42.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :162.19Pubchem ID :-
Synonyms :

Computed Properties of [ 1071727-78-0 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1071727-78-0 ]

Signal Word:DangerClass:4.1
Precautionary Statements:P210-P240-P241-P280-P370+P378UN#:1325
Hazard Statements:H228Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1071727-78-0 ]

  • Upstream synthesis route of [ 1071727-78-0 ]
  • Downstream synthetic route of [ 1071727-78-0 ]

[ 1071727-78-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 31170-78-2 ]
  • [ 593-56-6 ]
  • [ 1071727-78-0 ]
YieldReaction ConditionsOperation in experiment
68% With triethylamine In methanolHeating / reflux 5,6-Dihydro-[1]pyrindin-7-one O-methyl-oxime: Methoxylamine hydrochloride (6.20 g, 74.23 mmol) was added to a solution of 5,6-dihydro-[1]pyrindin-7-one (4.96 g, 37.25 mmol) in MeOH and triethylamine (10.4 mL, 74.62 mmol) was added. After refluxing overnight, the reaction mixture was cooled to room temperature and extracted with EtOAc (3.x.200 mL). The combined organic extracts were washed with H2O (3.x.200 mL), brine (1.x.200 mL), dried over MgSO4 and concentrated. Purification by column chromatography using hex: Et2O (4:1) as the eluant afforded 4.10 g (68percent yield) of the title oxime.31 g (96.5percent yield) of the title compound. Spectroscopic data: 1H NMR (300 MHz, CDCl3) δ 2.90-2.96 (m, 2H), 2.99-3.07 (m, 2H), 4.08 (s, 3H), 7.21 (q, J=4.69, 2.93 Hz, 1H), 7.63 (d, J=7.92 Hz, 1H), 8.55 (d, J=4.69 Hz, 1H).
Reference: [1] Patent: US2008/255239, 2008, A1, . Location in patent: Page/Page column 32
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 3, p. 392 - 395
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