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[ CAS No. 91489-09-7 ] {[proInfo.proName]}

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Chemical Structure| 91489-09-7
Chemical Structure| 91489-09-7
Structure of 91489-09-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 91489-09-7 ]

CAS No. :91489-09-7 MDL No. :MFCD06654963
Formula : C10H12O2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :196.27 Pubchem ID :-
Synonyms :

Safety of [ 91489-09-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 91489-09-7 ]

* 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 [ 91489-09-7 ]

[ 91489-09-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2365-48-2 ]
  • [ 1680-73-5 ]
  • [ 91489-09-7 ]
YieldReaction ConditionsOperation in experiment
36% To a solution of <strong>[1680-73-5]2-chlorocyclohex-1-enecarbaldehyde</strong> (50g, 346mmol) and methyl-2- mercaptoacetate (40g, 380mmol) in Pyridine (100ml_) was added triethylamine (105g, 1037mmol) at room temperature. The mixture was stirred for 2 h, and partitioned between ethyl acetate (200ml_) and 1 N aqueous HCI (50ml_).The separated organic layer was washed with brine, dried over Na2S04 and evaporated to dryness, which was dissolved in Methanol (100ml_). To the above solution was added sodium methoxide (1.9g, 34.6mmol), then, the mixture was heated at reflux for 3hrs, which was poured into ice water and partitioned between ethyl acetate (200ml_) and 1 N aqueous NaHC03 (50ml_). The separated organic layer was washed with brine, dried over Na2S04 and evaporated to dryness, which was purified by silica gel chromatography eluted with PE: ethyl acetate 10:1 to give title product (25g, 36% yield) as yellow solid. LCMS (m/z) ES+= 197 (M+1 )
  • 2
  • [ 67-56-1 ]
  • [ 40133-07-1 ]
  • [ 91489-09-7 ]
YieldReaction ConditionsOperation in experiment
99% Methyl 6-cyclopropylpyridine-3-carboxylate In a 10-mL round bottom flask with magnetic stir bar, <strong>[40133-07-1]4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid</strong> (50 mg, 0.27 mmol, 1.00 equiv) was dissolved in dichloromethane (1 mL), to which was added oxalic dichloride (52 mg, 0.41 mmol, 1.49 equiv) dropwise at room temperature. The resulting solution was stirred for 2 h at room temperature. After the reaction was done, the reaction mixture was concentrated under reduced pressure to afford the acid chloride intermediate, which was used directly in the next step. The acid chloride intermediate prepared above was re-dissolved in MeOH (5 mL) at 0 C. The resulting solution was stirred for 1 h at room temperature. After the reaction was done, the reaction mixture was concentrated under reduced pressure and the residue was purified in prep-TLC eluting with ethyl acetate in petroleum ether (1:1) to afford methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate (54 mg, 99%) as yellow oil. MS: m/z=197.1 [M+H]+.
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