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Chemical Structure| 100601-29-4 Chemical Structure| 100601-29-4

Structure of 100601-29-4

Chemical Structure| 100601-29-4

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Product Details of [ 100601-29-4 ]

CAS No. :100601-29-4
Formula : C8H11NS
M.W : 153.24
SMILES Code : SC1=CC(C)=C(C)C=C1N
MDL No. :MFCD20691181

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Application In Synthesis of [ 100601-29-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 100601-29-4 ]

[ 100601-29-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 50995-48-7 ]
  • [ 100601-29-4 ]
  • [ 105125-82-4 ]
YieldReaction ConditionsOperation in experiment
4.35 g (69.3%) In N-methyl-acetamide; hexane; Reference Example 1 To a solution of 3.06 g of 2-amino-4,5-dimethylthiophenol in 50 ml of dimethylformamide was added 5.48 g of <strong>[50995-48-7]methyl 2,5-dibromovalerate</strong> at room temperature with stirring. The mixture was stirred for 14 hours, poured into water, and extracted with ethyl acetate. The ethyl acetate layer was washed with water, dried (MgSO4), and concentrated. The residue was washed with a mixture of ether and hexane to obtain 4.35 g (69.3percent) of 2-(3-bromopropyl)-6,7-dimethyl-2H-1,4-benzothiazin-3(4H)-one as crystals. Recrystallization from methanol gave prisms, m.p. 151°-153° C. IR(Nujol)cm-1: 3200, 1660. NMR delta(ppm)in CDCl3: 1.37-2.27(4H, m), 2.42(6H, s), 3.23-3.4(1H, m), 3.37(2H, t, J=6 Hz), 6.64(1H, s), 7.03(1H, s), 8.9(1H, broad). Elemental Analysis for C13 H16 BrNOS, Calcd.: C 49.69; H 5.13; N 4.46, Found: C 49.84; H 4.97; N 4.75.
 

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