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Chemical Structure| 100959-19-1 Chemical Structure| 100959-19-1

Structure of 100959-19-1

Chemical Structure| 100959-19-1

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Product Details of [ 100959-19-1 ]

CAS No. :100959-19-1
Formula : C7H16ClN
M.W : 149.66
SMILES Code : NC1CCC(C)CC1.[H]Cl
MDL No. :MFCD00051985
InChI Key :GIRKJSRZELQHDX-UHFFFAOYSA-N
Pubchem ID :12714125

Safety of [ 100959-19-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Application In Synthesis of [ 100959-19-1 ]

* 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 [ 100959-19-1 ]

[ 100959-19-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6624-49-3 ]
  • [ 100959-19-1 ]
  • [ 530-62-1 ]
  • [ 311346-55-1 ]
YieldReaction ConditionsOperation in experiment
377 mg (70%) With N-ethyl-N,N-diisopropylamine; In N-methyl-acetamide; Example 18 Preparation of N-(trans-4-methylcyclohexyl)isoquinoline-3-carboxamide (406) A solution of <strong>[6624-49-3]isoquinoline-3-carboxylic acid</strong> (346 mg, 2 mmol), and 1,1'-carbonyldiimidazole (325 mg, 2 mmol) in dimethylformamide (4 mL) was heated at 50° C. for 1 hour. After this time, trans-4-methylcyclohexylamine hydrochloride (300 mg, 2 mmol), and N,N-diisopropylethylamine (0.523 mL, 3 mmol) were added and the mixture heated at 50° C. for 16 hours. The reaction mixture was cooled, and diluted with ethyl acetate (20 mL). The organic solution was washed with water (3*15 mL), brine (20 mL), dried over anhydrous MgSO4, filtered and concentrated to afford 377 mg (70percent) of 406: rt=9.65 min.; m/z (rel. int.) 268 (M+, 9), 240 (6), 223 (16), 211 (17), 197 (13), 173 (22), 156 (55), 128 (100), 112 (38), 101 (15), 77 (10).
 

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