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Chemistry
Organic Building Blocks
Aryls
3-Amino-4-(cyclopropylamino)benzonitrile
Chemistry
Organic Building Blocks
Aryls
Amines Nitriles

[ CAS No. 918152-17-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 918152-17-7
Chemical Structure| 918152-17-7
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Product Details of [ 918152-17-7 ]

CAS No. :918152-17-7 MDL No. :MFCD12189563
Formula : C10H11N3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 173.21 Pubchem ID :-
Synonyms :

Safety of [ 918152-17-7 ]

Signal Word: Class:
Precautionary Statements: UN#:
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Application In Synthesis of [ 918152-17-7 ]

* 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 [ 918152-17-7 ]

[ 918152-17-7 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 918152-17-7 ]
  • [ 530-62-1 ]
  • [ 918152-18-8 ]
YieldReaction ConditionsOperation in experiment
39% In tetrahydrofuran at 20℃; for 2h; 6.F A mixture of f-2 (0.0132 mol) and f-3 (0.0132 mol) in THF (25 ml) was stirred at room temperature for 2 hours. The solvent was evaporated. The residue was taken up in CH2Cl2 and washed with H2O. The organic layer was dried (over MgSO4), filtered and concentrated. The residue (3.5 g) was purified by column chromatography over silica gel (eluent: CH2C12/CH3OH/NH4OH (96/4/0.2); 15-40μm). The pure fractions were collected and the solvent was evaporated, yielding 1.04 g of intermediate f-4 (39%).
Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2006/136561, 2006, A1 Location in patent: Page/Page column 30
  • 2
  • [ 710967-04-7 ]
  • [ 918152-17-7 ]
YieldReaction ConditionsOperation in experiment
100% With thiophene; hydrogen In methanol at 20℃; for 1h; 6.F A mixture of f-1 (0.0148 mol), Raney nickel (3 g) and thiophene (0.1 ml) in CH3OH (50 ml) was hydrogenated at room temperature for 1 hour under a 1.5 bar pressure, then filtered over celite. Celite was rinsed with CH3OH. The filtrate was evaporated, yielding 2.8 g of intermediate f-2 (100%).
With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; for 3h; 3-Amino-4-(cyclopropylamino)benzonitrile (Int-22) 10626] To a stirred solution of 4-(cyclopropylamino)-3- nitrobenzonitrile (1.1 g, crude) in ethanol (40 mE) was added 10% Pd/C (50% wet, 350 mg) at room temperature under an inert atmosphere. The reaction mixture was stirred at room temperature under a hydrogen atmosphere (balloon pressure) for 3 h. After consumption of starting material (by TEC), the reaction mixture was filtered through a pad of celite and the bed was washed with ethylacetate (20 mE). The filtrate was concentrated under reduced pressure to afford 3-amino-4-(cyclopropylamino) benzonitrile Int-22 (900 mg) as a yellow solid. The crude material was taken to next step without further purification. 10627] ‘H NMR (400 MHz, CDC13): ö 7.18 (dd, J=8.2, 1.8Hz, 1H), 7.00 (d, J=8.3 Hz, 1H), 6.92 (d, J=1.9 Hz, 1H), 4.41(br s, 1H), 3.24 (br s, 2H), 2.51-2.43 (m, 1H), 0.85-0.78 (m,2H), 0.59-0.53 (m, 2H)10628] LC-MS: mlz 173.9 [M+H] at 2.40 RT (84.82%purity)
Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2006/136561, 2006, A1 Location in patent: Page/Page column 30
[2]Current Patent Assignee: PHASEBIO PHARMACEUTICALS INC - US2018/185362, 2018, A1 Location in patent: Paragraph 0622; 0626; 0627; 0628
  • 3
  • [ 1009-35-4 ]
  • [ 918152-17-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate / dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere 2: hydrogen; palladium 10% on activated carbon / ethanol / 3 h / 20 °C
Reference： [1]Current Patent Assignee: PHASEBIO PHARMACEUTICALS INC - US2018/185362, 2018, A1
  • 4
  • [ 918152-17-7 ]
  • 1-cyclopropyl-2-(6-methylpyridazin-4-yl)-1H-benzo[d]imidazole-5-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine / ethyl acetate / 2 h / 0 - 20 °C / Inert atmosphere 2: hydrogenchloride / ethanol; water / 0.42 h / 70 °C / Inert atmosphere
Reference： [1]Current Patent Assignee: PHASEBIO PHARMACEUTICALS INC - US2018/185362, 2018, A1
  • 5
  • [ 918152-17-7 ]
  • 6-methylpyridazine-4-carboxylic acid hydrochloride [ No CAS ]
  • N-(5-cyano-2-(cyclopropylamino)phenyl)-6-methylpyridazine-4-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate at 0 - 20℃; for 2h; Inert atmosphere; 107 N-(5-Cyano-2-(cyclopropylamino)phenyl)-6-methyl-pyridazine-4-carboxamide To a stirred solution of 3-amino-4-(cyclopropy- lamino)benzonitrile Int-22 (198 mg, crude) and 6-methyl- pyridazine-4-carboxylic acid hydrochloride (200 mg, 1.15 mmol) in ethylacetate (12 mE) was added triethylamine (0.32 mE, 2.29 mmol) followed by propylphosphonic anhydride (50% in EtOAc, 1.82 mE, 2.86 mmol) dropwise at 00 C. under an inert atmosphere. The reaction was warmed to room temperature and stirred for 2 h. Afier consumption of starting material (by TEC), the reaction mixture was basified using saturated NaHCO3 (pH .-8) and extracted with EtOAc (2x25 mE). The combined organic extracts were dried over anhydrous Na2SO4 and concentrated under reduced pressure. The crude material was purified by silica gel colunm chromatography (eluent: 60% EtOAc/hexane) to afford N-(5-cyano-2-(cyclopropylamino)phenyl)-6-methyl- pyridazine-4-carboxamide (400 mg, 1.34 mmol, 79%) as a pale yellow solid.11424] ‘H NMR (400 MHz, DMSO-d5): ö 10.12 (s, 1H),9.60 (d, J=2.0 Hz, 1H), 8.11 (d, J=2.0 Hz, 1H), 7.71-7.63 (m, 2H), 7.19 (d, J=8.5 Hz, 1H), 6.83 (s, 1H), 2.84 (s, 3H),2.57-2.50 (m, 1H), 0.92-0.85 (m, 2H), 0.60-0.55 (m, 2H)11425] EC-MS: mlz 293.9 [M+H] at 2.14 RT (88.98% purity)
Reference： [1]Current Patent Assignee: PHASEBIO PHARMACEUTICALS INC - US2018/185362, 2018, A1 Location in patent: Paragraph 1422; 1423; 1424; 1425
  • 6
  • [ 918152-17-7 ]
  • C32H34N8O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: tetrahydrofuran / 2 h / 20 °C 2.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C 2.2: 1.5 h / 20 °C 2.3: 0 °C
Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2006/136561, 2006, A1

Tags: 918152-17-7; 3-Amino-4-(cyclopropylamino)benzonitrile; Nitriles

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