1,4-Thiazepan-5-one
-
1,4-Thiazepan-5-one
structure -
-
CAS No:
2896-98-2
-
Formula:
C5H9NOS
-
Chemical Name:
1,4-Thiazepan-5-one
-
Synonyms:
1,4-thiazepan-5-one;Tetrahydro-1,4-thiazepan-5-one;1,4-Thiazepin-5(2H)-one,tetrahydro-;1,4-Thiazepin-5(2H)-one, tetrahydro-;NSC144313;SCHEMBL4240098;hexahydro-1,4-thiazepin-5-one;CTK4G2501;DTXSID40301568;ALBB-022853
-
CAS No:
Safety Information
3
45
T
P264, P270, P273, P301+P310, P321, P330, P391, P405, P501
H301
|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,4-Thiazepan-5-one Use and Manufacturing
To a solution of compound 2 (1.0 g, 7.6 mmol) in acetone/HThe mixture of dihydro-2H-thiopyran-4(31])-one oxime (4.01 g, 0.03 mol) in polyphosphoric acid was heated at 115 D for 1 5mm, and cooled to rt, ice-water was added, then the mixture was extracted with EtOAc 5 times. The combined organic layer was dried over Na2504 and concentrated under vacuum to give 2.4 g product as brown solid in 60percent yield. ‘H-NMR (400 IVIFIz, CDC13) : 6.79 (brs, 1H), 3.63 (m, 2H), 2.94 (m, 2H), 2.74 (m, 4H).To a mixture of tetrahydrothiopyran-4-one (5.14 g) and conc. hydrochloric acid (20 mL) was added sodium azide (4.31 g) under ice-cooling. The reaction mixture was stirred at room temperature for 4 hrs., and sodium carbonate was added. The mixture was diluted with iced water and extracted with chloroform. The organic layer was washed successively with water and saturated brine, dried over anhydrous magnesium sulfate, and concentrated to give 1, 4-thiazepan-5-one as crystals (3.62 g, yield 62percent). Recrystallization from ethyl acetate-hexane gave colorless prism crystals. melting point: 120-121°C.Preparation 34