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[ CAS No. 119205-38-8 ]

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Chemical Structure| 119205-38-8
Chemical Structure| 119205-38-8
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CAS No. :119205-38-8 MDL No. :MFCD05665152
Formula : C10H13NO2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :211.28 g/mol Pubchem ID :2769528
Synonyms :

Safety of [ 119205-38-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
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Application In Synthesis of [ 119205-38-8 ]

  • Upstream synthesis route of [ 119205-38-8 ]
  • Downstream synthetic route of [ 119205-38-8 ]

[ 119205-38-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1263199-68-3 ]
  • [ 119205-38-8 ]
YieldReaction ConditionsOperation in experiment
80% With potassium <i>tert</i>-butylate In tetrahydrofuran for 0.5 h; Reflux; Inert atmosphere Methyl-S-(2-cyanocyclohex-1-enyl)sulphanylacetate (9) (0.17 g, 0.78 mmol) was mixed with freshly distilled dry THF (3 mL). Potassium t-butoxide (0.09 g, 0.78 mmol) was added and the solution was heated at reflux for 30 minutes. The reaction was monitored by TLC (eluent: PE/EtOAc 5:1). The mixture was concentrated under vacuum, CH2Cl2 (25 mL) was added and the solution was washed by distilled water (2x20 mL) and dried over MgSO4. The solvent was evaporated and the obtained oil was dried under high vacuum (10-1 mbar). The yellowish solid was obtained after refrigerating overnight (135 mg, 80 percent). Mp 70-73 °C; δH (CDCl3): 1.82 (m, 4H, H5 a H6), 2.30 (m, 2H, H7), 2.67 (m, 2H, H4), 3.79 (s, 3H, COOCH3), 5.36 (brs, 2H, NH2); δC (CDCl3): 21.9 and 22.6 (2CH2 - C5 and C6), 23.1 (CH2 - C4), 25.8 (CH2 - C7), 51.1 (COOCH3), 97.3 (CAr), 126.2 (CAr), 143.5 (CAr), 152.6 (CAr), 165.4 (COOCH3); IR (KBr): 768, 1072, 1095, 1130, 1198, 1263, 1300, 1342, 1448, 1493, 1568, 1604, 1668, 1734 (ester), 2858, 2933, 3361 (NH2), 3464 (NH2); MS (EI, 70 eV): m/z (percent) = 32 (80), 40 (10), 45 (10), 65 (10), 77 (15), 91 (15), 118 (15), 151 (65), 179 (90), 211 (M+, 100), 212 (M+H+, 10); HRMS-FAB: m/z [M+H]+ calcd for C10H13NO2S: 211.0667; found: 211.0745.
Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 3, p. 401 - 403
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