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[ CAS No. 70202-00-5 ]

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2D
Chemical Structure| 70202-00-5
Chemical Structure| 70202-00-5
Structure of 70202-00-5 *Storage: {[proInfo.prStorage]}

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Product Details of [ 70202-00-5 ]

CAS No. :70202-00-5MDL No. :MFCD18822308
Formula : C7H5ClN2S Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :184.65Pubchem ID :12479789
Synonyms :

Computed Properties of [ 70202-00-5 ]

TPSA : 67.2 H-Bond Acceptor Count : 3
XLogP3 : 2.3 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 70202-00-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 70202-00-5 ]

  • Upstream synthesis route of [ 70202-00-5 ]
  • Downstream synthetic route of [ 70202-00-5 ]

[ 70202-00-5 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 533-30-2 ]
  • [ 70202-00-5 ]
YieldReaction ConditionsOperation in experiment
34 mmol, 80% With chlorine In acetic acid; ethyl acetate 7-Chloro-6-aminobenzothiazole
To a solution of 6-aminobenzothiazole (2.0 g, 13.4 mmol) in 100 mL of AcOH was added a solution of Cl2 saturated AcOH and the resulting reaction mixture was stirred for 1 h at 25° C.
Reaction mixture was concentrated in vacuo, yielding a yellow solid which was dissolved in EtOAc and washed with aq. NaHCO3.
Organic layer was dried over Na2 SO4 and concentrated in vacuo, yielding an oil which was subjected to column chromatography (10-50percent EtOAc/n-Hexane) to obtain 7.8 g (34 mmol, 80percent) of the desired product.
Reference: [1] Patent: US5677321, 1997, A,
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