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[ CAS No. 88382-99-4 ]

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2D
Chemical Structure| 88382-99-4
Chemical Structure| 88382-99-4
Structure of 88382-99-4 *Storage: {[proInfo.prStorage]}

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Alternatived Products of [ 88382-99-4 ]

Product Details of [ 88382-99-4 ]

CAS No. :88382-99-4MDL No. :
Formula : C12H17NO2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :207.27Pubchem ID :-
Synonyms :

Computed Properties of [ 88382-99-4 ]

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

Safety of [ 88382-99-4 ]

Signal Word:Class:
Precautionary Statements:UN#:
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Application In Synthesis of [ 88382-99-4 ]

  • Downstream synthetic route of [ 88382-99-4 ]

[ 88382-99-4 ] Synthesis Path-Downstream   1~7

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  • [ 3618-96-0 ]
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  • [ 52485-51-5 ]
  • [ 74-88-4 ]
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YieldReaction ConditionsOperation in experiment
91% With sodium hydride; In tetrahydrofuran; mineral oil; for 1.0h; General procedure: To a suspension of NaH (60% in oil, 3.1g, 77.7mmol) in THF (300mL) was added compound (S)-3 (15.0g, 77.7mmol). After 1h, a solution of CH3I (7.26mL, 116.6mmol) in THF (100mL) was added drop wise and the reaction mixture was stirred at 0C overnight. The reaction was quenched with methanol, and concentrated under reduced pressure. The residue was purified by column chromatography (silica gel, CH2Cl2/CH3OH=50:1, v/v) to give compound (S)-4 (14.6g, 91%) as a white solid. Mp=89-91C; [alpha]D20 -29.7 (c1.20, CHCl3); 1H NMR (400MHz, DMSO-d6) delta 7.81 (d, J=8.4Hz, 1H), 7.27 (t, J=7.6Hz, 2H), 7.20-7.18 (m, 3H), 4.07-4.01 (m, 1H), 3.27-3.21 (m, 2H), 3.25 (s, 3H), 2.77 (dd, J=13.6, 5.6Hz, 1H), 2.64 (dd, J=13.6, 8.0Hz, 1H), 1.75 (s, 3H); 13C NMR (100MHz, DMSO-d6) delta 168.64, 138.81, 128.99 (2C), 128.10 (2C), 125.98, 73.35, 58.16, 49.77, 36.87, 22.62; HRMS calcd for C12H18NO2 [M+H]+ 208.1332, found 208.1341.
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  • [ 88382-99-4 ]
  • [ 1616107-81-3 ]
  • 4
  • [ 88382-99-4 ]
  • [ 64715-81-7 ]
YieldReaction ConditionsOperation in experiment
Ca.100% With hydrogenchloride; In water; for 24.0h;Reflux; General procedure: Compound (S)-4 (14.0g, 67.6mmol) was refluxed in 6N HCl (90mL) for 24h. The solvent was evaporated under reduced pressure to obtain compound (S)-5 (13.6g) as a white solid in an almost quantitative yield. Mp=122-124C; [alpha]D20 -13.3 (c 1.20, CH3OH); 1H NMR (400MHz, DMSO-d6) delta 8.45 (s, 2H), 7.34 (t,J=7.2Hz, 2H), 7.30-7.26 (m, 3H), 3.44-3.41 (m, 2H), 3.33 (dd, J=10.4, 6.0Hz, 1H), 3.27 (s, 3H), 3.08 (dd, J=13.2, 4.8Hz, 1H), 2.83 (dd, J=13.2, 9.2Hz, 1H), 2.59 (t, J=4.8Hz, 1H); 13C NMR (100MHz, DMSO-d6) delta 136.41, 129.17 (2C), 128.59 (2C), 126.79, 70.08, 58.43, 51.54, 34.91; HRMS calcd for C10H16NO [M+H]+ 166.1226, found 166.1227.
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  • [ 88382-99-4 ]
  • (S)-3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline [ No CAS ]
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  • [ 88382-99-4 ]
  • C19H22N2O [ No CAS ]
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  • [ 88382-99-4 ]
  • [ 1616107-99-3 ]
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