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Chemical Structure| 651706-15-9 Chemical Structure| 651706-15-9

Structure of 651706-15-9

Chemical Structure| 651706-15-9

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Product Details of [ 651706-15-9 ]

CAS No. :651706-15-9
Formula : C8H12N2S
M.W : 168.26
SMILES Code : NCC1=NC2=C(CCCC2)S1
MDL No. :MFCD05221863
InChI Key :MVXOUEFCXDHEAR-UHFFFAOYSA-N
Pubchem ID :3469612

Safety of [ 651706-15-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H318-H335
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 651706-15-9 ]

* 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 [ 651706-15-9 ]

[ 651706-15-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 89226-13-1 ]
  • [ 822-87-7 ]
  • [ 651706-15-9 ]
YieldReaction ConditionsOperation in experiment
A solution of 2-chlorocyclohexanone (58 muL, 0.5 mmol), tert-butyl-2-amino-2-thioxoethylcarbamate (105.7 mg, 0.5 mmol) in ethanol (2 mL) was stirred at room temperature for 1.5 hours, then at 80C for 40 hours. The reaction was then concentrated. Ethyl acetate and a diluted hydrochloric acid solution were added to the crude product. The solution was extracted with diethyl ether and ethyl acetate. These organic layers were discarded. The aqueous layer was basified with aqueous sodium hydroxide to pH = 10, and then extracted with diethyl ether and ethyl acetate. Combined organic extracts were dried over sodium sulfate, filtered and evaporated to give crude 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (30.9 mg, 36%) as a brown oil which was used in the next steps without purification. ESI-MS m/z 169 (M+H)+.
 

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