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[ CAS No. 59349-71-2 ]

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2D
Chemical Structure| 59349-71-2
Chemical Structure| 59349-71-2
Structure of 59349-71-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 59349-71-2 ]

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Product Details of [ 59349-71-2 ]

CAS No. :59349-71-2MDL No. :MFCD03839935
Formula : C11H15N Boiling Point : 263.2°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :161.24Pubchem ID :-
Synonyms :

Computed Properties of [ 59349-71-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 59349-71-2 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 59349-71-2 ]

  • Upstream synthesis route of [ 59349-71-2 ]
  • Downstream synthetic route of [ 59349-71-2 ]

[ 59349-71-2 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 3973-62-4 ]
  • [ 59349-71-2 ]
YieldReaction ConditionsOperation in experiment
30.1% With L-Tartaric acid In isopropyl alcohol for 2 h; 3-Phenylpiperidine (1,100 g, 621.1 mmol) was dissolved in isopropanol (50 mL).Will be dissolved in L-tartaric acid (93.16g, 622.2mmol)Isopropyl alcohol (200mL)The solution was added dropwise to a solution of racemic 3-phenylpiperidine in isopropanol and stirred for 2 h.Filtration to obtain tartrate;Then, methanol (10 L) was added to the tartrate, and after heating to complete dissolution, the stirring was stopped; the temperature was slowly lowered to room temperature, and the mixture was crystallized at -20 ° C for 7 days, and filtered to obtain a crude white solid.A 1N aqueous sodium hydroxide solution (50 mL) was added, and ethyl acetate (25 mL×2)The combined organic layers were dried with anhydrous sodium sulfate, filtered and evaporated.
Reference: [1] Patent: CN108203404, 2018, A, . Location in patent: Paragraph 0123-0142
  • 2
  • [ 3973-62-4 ]
  • [ 59349-71-2 ]
  • [ 430461-56-6 ]
YieldReaction ConditionsOperation in experiment
89.19 % ee With (R)-10-camphorsulfonic acid In ethanol for 2 h; 3-Phenylpiperidine (1,100 g, 621.1 mmol) was dissolved in isopropanol (50 mL).Will be dissolved in L-tartaric acid (93.16g, 622.2mmol)Isopropyl alcohol (200mL)The solution was added dropwise to a solution of racemic 3-phenylpiperidine in isopropanol and stirred for 2 h.Filtration to obtain tartrate;Then, methanol (10 L) was added to the tartrate, and after heating to complete dissolution, the stirring was stopped; the temperature was slowly lowered to room temperature, and the mixture was crystallized at -20 ° C for 7 days, and filtered to obtain a crude white solid.A 1N aqueous sodium hydroxide solution (50 mL) was added, and ethyl acetate (25 mL×2)The combined organic layers were dried with anhydrous sodium sulfate, filtered and evaporated.
87.31 % ee With (+)-(1S)-camphor-10-sulphonic acid In ethanol for 2 h; 3-phenylpiperidine (1,100 g, 621.1 mmol)Soluble in ethanol (50mL),Will be dissolved in D-camphorsulfonic acid (145.8g, 622.2mmol)A solution of ethanol (150 mL) was added dropwise to a solution of the racemic 3-phenylpiperidine in ethanol and stirred for 2 h.Filtration to obtain camphor sulfonate; then, adding methanol (5 L) to the camphor sulfonate,After heating to complete dissolution, the stirring was stopped; the temperature was slowly lowered to room temperature, and crystallization was carried out at 0 ° C for 2 days.Filtration gave a crude white solid, 1N aqueous sodium hydroxide (50 mL).Extracted with ethyl acetate (25 mL x 2), and the organic phases were combined.Dry over anhydrous sodium sulfate, filtered and concentrated to give a white solid.Namely (R)-3-phenylpiperidine, the yield was 19.3percent.
Reference: [1] Patent: CN108203404, 2018, A, . Location in patent: Paragraph 0143-0146
[2] Patent: CN108203404, 2018, A, . Location in patent: Paragraph 0163-0166
  • 3
  • [ 40114-49-6 ]
  • [ 59349-71-2 ]
Reference: [1] Patent: CN108203404, 2018, A,
[2] Patent: CN108203404, 2018, A,
[3] Patent: CN108203404, 2018, A,
[4] Patent: CN108203404, 2018, A,
[5] Patent: CN108203404, 2018, A,
[6] Patent: CN108203404, 2018, A,
[7] Patent: CN108203404, 2018, A,
[8] Patent: CN108203404, 2018, A,
  • 4
  • [ 100-59-4 ]
  • [ 59349-71-2 ]
Reference: [1] Patent: CN108203404, 2018, A,
[2] Patent: CN108203404, 2018, A,
[3] Patent: CN108203404, 2018, A,
[4] Patent: CN108203404, 2018, A,
  • 5
  • [ 58879-07-5 ]
  • [ 59349-71-2 ]
Reference: [1] Patent: CN108203404, 2018, A,
[2] Patent: CN108203404, 2018, A,
[3] Patent: CN108203404, 2018, A,
[4] Patent: CN108203404, 2018, A,
  • 6
  • [ 100-58-3 ]
  • [ 59349-71-2 ]
Reference: [1] Patent: CN108203404, 2018, A,
[2] Patent: CN108203404, 2018, A,
[3] Patent: CN108203404, 2018, A,
[4] Patent: CN108203404, 2018, A,
  • 7
  • [ 3979-67-7 ]
  • [ 59349-71-2 ]
Reference: [1] Patent: CN108203404, 2018, A,
[2] Patent: CN108203404, 2018, A,
  • 8
  • [ 3973-62-4 ]
  • [ 59349-71-2 ]
  • [ 430461-56-6 ]
YieldReaction ConditionsOperation in experiment
89.19 % ee With (R)-10-camphorsulfonic acid In ethanol for 2 h; 3-Phenylpiperidine (1,100 g, 621.1 mmol) was dissolved in isopropanol (50 mL).Will be dissolved in L-tartaric acid (93.16g, 622.2mmol)Isopropyl alcohol (200mL)The solution was added dropwise to a solution of racemic 3-phenylpiperidine in isopropanol and stirred for 2 h.Filtration to obtain tartrate;Then, methanol (10 L) was added to the tartrate, and after heating to complete dissolution, the stirring was stopped; the temperature was slowly lowered to room temperature, and the mixture was crystallized at -20 ° C for 7 days, and filtered to obtain a crude white solid.A 1N aqueous sodium hydroxide solution (50 mL) was added, and ethyl acetate (25 mL×2)The combined organic layers were dried with anhydrous sodium sulfate, filtered and evaporated.
87.31 % ee With (+)-(1S)-camphor-10-sulphonic acid In ethanol for 2 h; 3-phenylpiperidine (1,100 g, 621.1 mmol)Soluble in ethanol (50mL),Will be dissolved in D-camphorsulfonic acid (145.8g, 622.2mmol)A solution of ethanol (150 mL) was added dropwise to a solution of the racemic 3-phenylpiperidine in ethanol and stirred for 2 h.Filtration to obtain camphor sulfonate; then, adding methanol (5 L) to the camphor sulfonate,After heating to complete dissolution, the stirring was stopped; the temperature was slowly lowered to room temperature, and crystallization was carried out at 0 ° C for 2 days.Filtration gave a crude white solid, 1N aqueous sodium hydroxide (50 mL).Extracted with ethyl acetate (25 mL x 2), and the organic phases were combined.Dry over anhydrous sodium sulfate, filtered and concentrated to give a white solid.Namely (R)-3-phenylpiperidine, the yield was 19.3percent.
Reference: [1] Patent: CN108203404, 2018, A, . Location in patent: Paragraph 0143-0146
[2] Patent: CN108203404, 2018, A, . Location in patent: Paragraph 0163-0166
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