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[ CAS No. 114715-39-8 ]

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Chemical Structure| 114715-39-8
Chemical Structure| 114715-39-8
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Product Details of [ 114715-39-8 ]

CAS No. :114715-39-8 MDL No. :MFCD00082638
Formula : C11H16N2 Boiling Point : 278-279°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :176.26 g/mol Pubchem ID :1519354
Synonyms :

Safety of [ 114715-39-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 114715-39-8 ]

  • Upstream synthesis route of [ 114715-39-8 ]
  • Downstream synthetic route of [ 114715-39-8 ]

[ 114715-39-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 114715-39-8 ]
  • [ 144043-17-4 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1495 - 1510
  • 2
  • [ 24424-99-5 ]
  • [ 114715-39-8 ]
  • [ 131878-23-4 ]
YieldReaction ConditionsOperation in experiment
65.2%
Stage #1: With sodium hydrogencarbonate In water; acetonitrile at 20℃; for 0.166667 h;
Stage #2: at 20℃;
Sodium bicarbonate (5.92 g, 70.5 mmol) in 118 mL of deionized water was added to (3R)-(+)-benzylaminopyrrolidine 1a (5.00 g, 28.4 mmol) solution in 118 mL of acetonitrile and the mixture was stirred at room temperature for 10 min. Di-tert-butyl dicarbonate (6.22 g, 28.5 mmol) was then added and the mixture was stirred at room temperature overnight. After the reaction, the solution was concentrated under reduced pressure and the residue was extracted with dichloromethane three times. The combined organic layers were dried over anhydrous sodium sulfate, filtered and concentrated. The residue was purified with flash column chromatography (methanol: dichloromethane = 2:98). Removing the solvent in vacuo provided 4.24 g of tert-butyl (R)-(1-benzylpyrrolidin-3-yl)carbamate (65.2percent yield). 1H NMR (400 MHz, CDCl3) δ 7.36-7.26 (m, 5H), 4.86 (bs, 1H), 4.18 (bs, 1H), 3.61 (s, 2H), 2.79 (bs, 1H), 2.65-2.61 (m, 1H), 2.54 (d, J = 8.0 Hz, 1H), 2.34-2.25 (m, 2H), 1.61-1.51 (m, 1H), 1.46 (s, 9H). [α]D +2.5° (c 0.620, CHCl3).
Reference: [1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1495 - 1510
[2] Journal of Medicinal Chemistry, 2001, vol. 44, # 11, p. 1815 - 1826
[3] Journal of Medicinal Chemistry, 2002, vol. 45, # 3, p. 721 - 739
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