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[ CAS No. 676559-69-6 ] {[proInfo.proName]}

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Chemical Structure| 676559-69-6
Chemical Structure| 676559-69-6
Structure of 676559-69-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 676559-69-6 ]

CAS No. :676559-69-6 MDL No. :MFCD13172851
Formula : C9H9ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 196.63 Pubchem ID :-
Synonyms :

Safety of [ 676559-69-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501 UN#:3265
Hazard Statements:H302-H312-H315-H318-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 676559-69-6 ]

* 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 [ 676559-69-6 ]

[ 676559-69-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 676559-69-6 ]
  • [ 10316-79-7 ]
  • [ 676560-79-5 ]
YieldReaction ConditionsOperation in experiment
In acetonitrile 80 (2S,5R)-5-ethynyl-1-{N-(1-(hydroxymethyl) cyclopentyl)glycyl}pyrrolidine-2-carbonitrile Example 80 (2S,5R)-5-ethynyl-1-{N-(1-(hydroxymethyl) cyclopentyl)glycyl}pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.030 g, 0.15 mmol, Example 8D) in acetonitrile (1 mL) at room temperature was added 1-amino-1-cyclopentanemethanol (35 mg, 0.31 mmol). The reaction mixture was stirred at room temperature for 18 hours, concentrated under reduced pressure and purified by flash chromatography with 3% methanol: dichloromethane to provide the titled compound. MS (ESI) m/z 276 (M+H)+; 1H NMR (DMSO) δ 4.99 (m, 1H), 4.86 (t, 1H), 4.28 (m, 1H), 4.00 (m, 1H), 3.50 (d, 2H), 3.51 (m, 2H), 2.27 (m, 2H), 2.14 (m, 1H), 1.75 (m, 6H), 1.55 (m, 2H).
In acetonitrile at 20℃; for 18h; 80 Example 80 [(2S,] [SR)-5-ETHYNYL-1- {N-(1-(HYDROXYMETHYL)] cyclopentyl) [GLYCYLWPYRROLIDINE-2-CARBONITRILE] To a stirred solution of (2S, [5R)-L-(CHLOROACETYL)-5-ETHYNYLPYRROLIDINE-2-CARBONITRILE] (0. [030] g, 0.15 mmol, Example 8D) in acetonitrile (1 [ML)] at room temperature was added [1-] [AMINO-1-CYCLOPENTANEMETHANOL] (35 mg, 0.31 mmol). The reaction mixture was stirred at room temperature for 18 hours, concentrated under reduced pressure and purified by flash chromatography with 3% methanol: dichloromethane to provide the titled compound. MS (ESI) [M/Z] 276 [(M+H) + ;'H] NMR (DMSO) [8] 4.99 [(M,] 1H), 4.86 (t, 1H), 4.28 [(M,] 1H), 4.00 (m, 1H), 3.50 (d, 2H), 3.51 [(M,] 2H), 2.27 [(M,] 2H), 2.14 [(M,] 1H), 1.75 [(M,] 6H), 1.55 (m, 2H).
  • 2
  • [ 676559-69-6 ]
  • [ 111769-27-8 ]
  • [ 676561-86-7 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In methanol; acetonitrile; Example 163 (2S,5R)-5-ethynyl-1-((3R)-N-tetrahydrofuran-3-ylglycyl)pyrrolidine-2-carbonitrile To a stirred solution of Example 8D (0.03 g, 0.153 mmol) and potassium carbonate (0.2 g, 1.53 mmol) in acetonitrile (2 mL), at room temperature under nitrogen was added R(+)-3-aminotetrahydrofuran toluene-4-sulfonate (0.08 g, 0.32 mmol). The reaction mixture was stirred overnight and then concentrated under reduced pressure. The residue was flash chromatographed with 2% MeOH/CH2Cl2 to provide the desired compound as a pale yellow oil. MS (DCI) m/z 248 (M+H)+; 1H NMR (300 MHz, DMSO-d6) delta 1.5-2 (2H, m), 2.11-2.21 (2H, m), 2.45-2.48 (2H, m), 3.78 (1H, d), 3.8-4.5 (2H, m), 4.53-4.55 (1H, t), 5.01 (1H,m), 5.05 (1H, m), 5.43-5.9 (4H,m).
With potassium carbonate; In methanol; acetonitrile; Example 163 (2S,5R)-5-ethynyl-1-((3R)-N-tetrahydrofuran-3-ylglycyl)pyrrolidine-2-carbonitrile To a stirred solution of Example 8D (0.03 g, 0.153 mmol) and potassium carbonate (0.2 g, 1.53 mmol) in acetonitrile (2 mL), at room temperature under nitrogen was added R(+)-3-aminotetrahydrofuran toluene-4-sulfonate (0.08 g, 0.32 mmol). The reaction mixture was stirred overnight and then concentrated under reduced pressure. The residue was flash chromatographed with 2% MeOH/CH2Cl2 to provide the desired compound as a pale yellow oil. MS (DCI) m/z 248 (M+H)+; 1H NMR (300 MHz, DMSO-d6) delta 1.5-2 (2H, m), 2.11-2.21 (2H, m), 2.45-2.48 (2H, m), 3.78 (1H, d), 3.8-4.5 (2H, m), 4.53-4.55 (1H, t), 5.01 (1H, m), 5.05 (1H, m), 5.43-5.9 (4H, m).
With potassium carbonate; In acetonitrile; at 20℃; To a stirred solution of Example 8D (0.03 g, 0. [153] mmol) and potassium carbonate (0.2g, 1.53 mmol) in acetonitrile (2 mL), at room temperature under nitrogen was added R [(+)-3-AMINOTETRAHYDROFURAN TOLUENE-4-SULFONATE (0. 08 G,] 0. [32 MMOL). THE REACTION] mixture was stirred overnight and then concentrated under reduced pressure. The residue was flash chromatographed with 2% [MEOH/CH2CL2] to provide the desired compound as a pale yellow oil. MS (DCI) [M/Z] 248 (M+H) [+] ; 1H NMR (300 MHz, DMSO-d6) 8 1.5-2 (2H, m), 2.11-2. 21 (2H, m), 2.45-2. 48 (2H, m), 3.78 [(1H,] d), 3.8-4. 5 (2H, m), 4.53-4. 55 [(1H,] t), 5.01 [(LH,] m), 5.05 [(1H,] m), 5.43-5. 9 (4H, m).
  • 3
  • [ 676559-69-6 ]
  • [ 1200-27-7 ]
  • [ 676560-66-0 ]
YieldReaction ConditionsOperation in experiment
In methanol; acetonitrile 69 (2S,5R)-5-ethynyl-1-{N-(2-(4-fluorophenyl)-1,1-dimethylethyl)glycyl}pyrrolidine-2-carbonitrile Example 69 (2S,5R)-5-ethynyl-1-{N-(2-(4-fluorophenyl)-1,1-dimethylethyl)glycyl}pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.05 g, 0.25 mmol, Example 8D) in acetonitrile (3 mL) at room temperature under nitrogen was added 1-(4-fluorophenyl)-2-methyl-2-propylamine (0.09 g, 0.508 mmol). The reaction mixture was stirred for two days and then concentrated under reduced pressure. The residue was flash chromatographed with 1-2% MeOH/CH2Cl2 to provide the desired compound as a white powder. MS (DCI) m/z 328 (M+H)+; 1H NMR (300 MHz, DMSO-d6) δ 2.01-2.04(2H, m), 2.05 (2H, s), 2.07 (2H, s), 3.03 (1H, m), 3.04 (6H, s), 3.5-4.57 (2H, m), 4.57-4.58 (1H,m), 4.58-5.59 (1H, m), 7.0-7.03 (4H,m).
In methanol; acetonitrile 69 (2S,5R)-5-ethynyl-1-{N-(2-(4-fluorophenyl)-1,1-dimethylethyl)glycyl}pyrrolidine-2-carbonitrile Example 69 (2S,5R)-5-ethynyl-1-{N-(2-(4-fluorophenyl)-1,1-dimethylethyl)glycyl}pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.05 g, 0.25 mmol, Example 8D) in acetonitrile (3 mL) at room temperature under nitrogen was added 1-(4-fluorophenyl)-2-methyl-2-propylamine (0.09 g, 0.508 mmol). The reaction mixture was stirred for two days and then concentrated under reduced pressure. The residue was flash chromatographed with 1-2% MeOH/CH2Cl2 to provide the desired compound as a white powder. MS (DCI) m/z 328 (M+H)+; 1H NMR (300 MHz, DMSO-d6) δ 2.01-2.04(2H, m), 2.05 (2H, s), 2.07 (2H, s), 3.03 (1H, m), 3.04 (6H, s), 3.5-4.57 (2H, m), 4.57-4.58 (1H, m), 4.58-5.59 (1H, m), 7.0-7.03 (4H, m).
In acetonitrile at 20℃; for 48h; 69 Example 69 [(2S, 5R)-5-ETHYNYL-1-FN- (2- (4-FLUOROPHENYL)-1,] 1-dimethylethyl) [GLYCYLDPYRROLIDINE-2-] carbonitrile To a stirred solution of (2S, 5R)-l- (chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.05 g, 0.25 mmol, Example 8D) in acetonitrile (3 mL) at room temperature under nitrogen was added [1- (4-FLUOROPHENYL)-2-METHYL-2-PROPYLAMINE] (0.09 g, 0.508 mmol). The reaction mixture was stirred for two days and then concentrated under reduced pressure. The residue was flash chromatographed with 1-2% [MEOH/CH2CL2] to provide the desired compound as a white powder. MS (DCI) [M/Z] 328 [(M+H) + ; IH] NMR (300 MHz, DMSO-d6) [5] 2.01-2. 04 (2H, m), 2.05 (2H, s), 2.07 (2H, s), 3.03 (1H, m), 3.04 (6H, s), 3.5-4. 57 (2H, m), 4.57-4. [58] [(LH,] m), 4.58-5. 59 [(1H,] m), 7.0-7. 03 (4H, m).
  • 4
  • [ 676559-69-6 ]
  • [ 144465-94-1 ]
  • [ 676562-28-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; dichloromethane; water; acetonitrile; Example 37 (2S,5R)-5-ethynyl-1-(N-(1-pyridin-2-ylpiperidin-4-yl)glycyl) pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.027 g, 0.14 mmol. Example 8D) in acetonitrile (0.5 mL), dioxane (0.5 mL), and water (0.7 mL) at room temperature was added <strong>[144465-94-1]3,4,5,6-tetrahydro-2H-(1,2')bipyridinyl-4-ylamine</strong> (0.028 g, 0.125 mmol) and diisopropylethylamine (0.072 mL, 0.41 mmol). The reaction mixture was stirred at room temperature for 48 hours, concentrated under reduced pressure and purified by flash chromatography with 5% methanol in dichloromethane. The product was mixed with 4M HCl in dioxane (2 mL), and after 0.5 h, the volatiles were removed under reduced pressure, and the residue was solidified by trituration with diethyl ether to provide the titled compound as the HCl salt. MS (CI) m/z 338 (M+1)+; 1H NMR (300 MHz, methanol-d4) delta ppm 8.09(m, 1H), 7.99 (d, 1H), 7.47 (d, 1H), 7.05 (t, 1H), 4.88 (m, 1H), 4.45-4.19 (m, 5H), 3.61-3.35 (m, 2H), 3.21 (m, 1H), 2.47-2.33 (m, 6H), 1.86-1.82 (m, 2H), 1.37-1.15 (m, 2H).
With hydrogenchloride; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; dichloromethane; water; acetonitrile; Example 37 (2S,5R)-5-ethynyl-1-(N-(1-pyridin-2-ylpiperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.027 g, 0.14 mmol. Example 8D) in acetonitrile (0.5 mL), dioxane(0.5 mL), and water (0.7 mL) at room temperature was added <strong>[144465-94-1]3,4,5,6-tetrahydro-2H-(1,2')bipyridinyl-4-ylamine</strong> (0.028 g, 0.125 mmol) and diisopropylethylamine (0.072 mL, 0.41 mmol). The reaction mixture was stirred at room temperature for 48 hours, concentrated under reduced pressure and purified by flash chromatography with 5% methanol in dichloromethane. The product was mixed with 4M HCl in dioxane (2 mL), and after 0.5 h, the volatiles were removed under reduced pressure, and the residue was solidified by trituration with diethyl ether to provide the titled compound as the HCl salt. MS (CI) m/z 338 (M+1)+; 1H NMR (300 MHz, methanol-d4) delta ppm 8.09(m, 1H), 7.99 (d, 1H), 7.47 (d, 1H), 7.05 (t, 1H), 4.88 (m, 1H), 4.45-4.19 (m, 5H), 3.61-3.35 (m, 2H), 3.21 (m, 1H), 2.47-2.33 (m, 6H), 1.86-1.82 (m, 2H), 1.37-1.15 (m, 2H).
To a stirred solution of (2S, 5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.027 g, 0.14 mmol. Example 8D) in acetonitrile (0.5 mL), dioxane [(0.] 5 mL), and water (0.7 mL) at room temperature was added 3,4, 5, [6-TETRAHYDRO-2H- (1,] 2') bipyridinyl-4-ylamine (0.028 g, 0.125 mmol) and diisopropylethylamine (0.072mL, 0. [41MMOL).] The reaction mixture was stirred at room temperature for 48 hours, concentrated under reduced pressure and purified by flash chromatography with 5% methanol in dichloromethane. The product was mixed with 4M [HC1] in dioxane (2mL), and after 0.5 h, the volatiles were removed under reduced pressure, and the residue was solidified by trituration with diethyl ether to provide the titled compound as the [HC1] salt. MS (CI) m/z [338 (M+1) + ; TH] NMR (300 MHz, methanol-d4) [8] ppm 8.09 (m, [1H),] 7.99 (d, [1H),] 7.47 (d, [1H),] 7.05 (t, [1H),] 4.88 [(M,] [1H),] 4.45-4. 19 [(M,] [5H),] 3.61-3. 35 [(M,] 2H), 3.21 [(M,] 1H), 2.47-2. 33 [(M,] 6H), 1.86-1. 82 [(M,] 2H), 1.37-1. 15 [(M,] 2H).
  • 5
  • [ 676559-69-6 ]
  • [ 68327-04-8 ]
  • (2S,5R)-5-ethynyl-1-{N-((2S)-2-hydroxycyclopentyl)glycyl}pyrrolidine-2-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In acetonitrile; Example 78 (2S,5R)-5-ethynyl-1-{N-((2S)-2-hydroxycyclopentyl) glycyl}pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.040 g, 0.20 mmol, Example 8D) in acetonitrile (1 mL) at room temperature was added trans-2-aminocyclopentanol hydrochloride (56 mg, 0.41 mmol) and triethylamine (0.14 ml, 1.02 mmol). The reaction mixture was stirred at room temperature for 18 hours, concentrated under reduced pressure and purified by flash chromatography with 3% methanol:dichloromethane to provide the titled compound. MS (ESI) m/z 262 (M+H)+; 1H NMR (MeOH) 4.79 (m, 1H), 4.17-4.40 (m, 3H), 3.18 (m, 1H), 2.48 (m, 4H); 2.00-2.30 (m, 4H), 1.80 (m, 2H), 1.66 (2H,m).
With triethylamine; In acetonitrile; Example 78 (2S,5R)-5-ethynyl-1-{N-((2S)-2-hydroxycyclopentyl) glycyl}pyrrolidine-2-carbonitrile To a stirred solution of (2S,5R)-1-(chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile (0.040 g, 0.20 mmol, Example 8D) in acetonitrile (1 mL) at room temperature was added trans-2-aminocyclopentanol hydrochloride (56 mg, 0.41 mmol) and triethylamine (0.14 mL, 1.02 mmol). The reaction mixture was stirred at room temperature for 18 hours, concentrated under reduced pressure and purified by flash chromatography with 3% methanol:dichloromethane to provide the titled compound. MS (ESI) m/z 262 (M+H)+; 1H NMR (MeOH) 4.79 (m, 1H), 4.17-4.40 (m, 3H), 3.18 (m, 1H), 2.48 (m, 4H); 2.00-2.30 (m, 4H), 1.80 (m, 2H), 1.66 (2H, m).
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