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Chemical Structure| 66787-70-0 Chemical Structure| 66787-70-0

Structure of 66787-70-0

Chemical Structure| 66787-70-0

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Product Details of [ 66787-70-0 ]

CAS No. :66787-70-0
Formula : C7H10N2O2
M.W : 154.17
SMILES Code : O=C(C1=CN=CN1C)OCC
MDL No. :MFCD06204805
InChI Key :AIPYAGWNEMVIJQ-UHFFFAOYSA-N
Pubchem ID :18914307

Safety of [ 66787-70-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 66787-70-0 ]

* 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 [ 66787-70-0 ]

[ 66787-70-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 66787-70-0 ]
  • [ 38993-84-9 ]
YieldReaction ConditionsOperation in experiment
73% With lithium aluminium tetrahydride; In tetrahydrofuran; at 20℃; for 16h; S-Methyl-SH-imidazole^-carboxylic acid ethyl ester (Chem. Pharm. Bull, 1994, 42,1463) (0.62 g, 4.02 mmol) in THF (5mL) was added dropwise over 1 min. to a slurry of lithium aluminum hydride (0.25 g, 6.60 mmol) in THF (20 mL). After stirring 16h at room temperature, the reaction was carefully quenched with excess sodium sulfate decahydrate, dried with anhydrous sodium sulfate and filtered through Celite. Concentration gave 0.33 g (73percent) of (3- methyl-3H-imidazol-4-yl)-methanol as a white solid which had: NMR (CDCI3) delta 7.38 (s, 1 H), 6.87 (s, 1 H), 4.60 (s, 2H)1 3.69 (s, 3H). A solution of this alcohol (0.150 g, 1.34 mmol) in thionyl chloride (5 mL) was refluxed for 3 h and concentrated. The residue was dissolved in a minimum of ethanol and ether was added to precipitate a white solid. This was collected to yield 0.185 g (83percent) of 5-chloromethyl-1-methyl-1H-imidazole hydrochloride which had: NMR (DMSOd6) delta 9.15 (s, 1 H), 7.75 (d, J = 1.2 Hz, 1 H), 4.99 (s, 2H), 3.84 (s, 3H).
 

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