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[ CAS No. 161330-30-9 ]

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Chemical Structure| 161330-30-9
Chemical Structure| 161330-30-9
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Product Details of [ 161330-30-9 ]

CAS No. :161330-30-9 MDL No. :MFCD02682469
Formula : C13H16FNO4 Boiling Point : 403.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :269.27 g/mol Pubchem ID :-
Synonyms :

1. N-BOC-(2-Fluorophenyl)glycine

Safety of [ 161330-30-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 161330-30-9 ]

  • Downstream synthetic route of [ 161330-30-9 ]

[ 161330-30-9 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 4530-20-5 ]
  • [ 13139-15-6 ]
  • [ 2130-96-3 ]
  • [ 161330-30-9 ]
  • H-Tyr-Gly-Gly-Phg(o-F)-Leu-OH [ No CAS ]
  • H-Tyr-Gly-Gly-D-Phg(o-F)-Leu-OH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Yield given. Multistep reaction. Yields of byproduct given;
  • 2
  • [ 24424-99-5 ]
  • [ 84145-28-8 ]
  • [ 161330-30-9 ]
YieldReaction ConditionsOperation in experiment
100% With sodium hydroxide; In tetrahydrofuran; water; at 20℃; A solution of <strong>[84145-28-8]2-amino-2-(2-fluorophenyl)acetic acid</strong> (300 mg, 1.77 mmol) in THF (1.8 mL) was treated sequentially with 1 M NaOH(aq) (2.66 mL, 5.32 mmol) and di-tert-butyl dicarbonate (387 mg, 1.77 mmol). The resulting mixture was stirred overnight at ambient temperature before introducing additional di-tert-butyl dicarbonate (387 mg, 1.77 mmol). The reaction mixture was concentrated in vacuo. The residue was suspended in DCM, and washed sequentially with saturated NaHC03(aq), water and brine (2 x 2 mL each). The combined organic extracts were dried over anhydrous Na2S04(S), filtered, and concentrated in vacuo. The residue was triturated with DCM/Hexanes (1 : 10) and dried under high vacuum to afford the title compound (486 mg, quantitative yield). MS (apci) m/z = 268.1 (M+H)
70% To a suspension of <strong>[84145-28-8]2-amino-2-(2-fluorophenyl)acetic acid</strong> (1.00 g, 5.91 mmol) in THF (30 ml) and water (30 ml), 2N sodium hydroxide (29.6 ml, 59.1 mmol) and di-tert-butyl dicarbonate (2.58 g, 11.8 mmol) were added. The reaction was stirred at RT for 15h. THF was evaporated, the aqueous phase was cooled to 0C and acidified with 37% HC1 until pH 1. The desired compound was extracted with EtOAc and the organic phase was washed with brine, dried over Na2SO4 and evaporated to obtain 2-(tert- butoxycarbonylamino)-2-(2-fluorophenyl)acetic acid (1.11 g; 70% yield).
70% With sodium hydroxide; In tetrahydrofuran; water; at 20℃; for 15h; To a suspension of <strong>[84145-28-8]2-amino-2-(2-fluorophenyl)acetic acid</strong> (1.00 g, 5.91 mmol) in THF (30 ml) and water (30 ml), were added 2N sodium hydroxide (29.6 ml, 59.1 mmol) and di-tert-butyl dicarbonate (2.58 g, 11.8 mmol). The reaction was stirred at RT for 15 hours. THF was evaporated, and the aqueous phase was cooled to 0 C. and acidified with 37% HCl until pH 1. The desired compound was extracted with EtOAc, and the organic phase was washed with brine, dried over Na2SO4 and evaporated to obtain 2-(tert-butoxycarbonylamino)-2-(2-fluorophenyl)acetic acid (1.11 g; 70% yield).
  • 3
  • [ 161330-30-9 ]
  • Merrifield resin-bound [(tert-butoxycarbonyl)amino](2-fluorophenyl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In 1,4-dioxane for 96h; Heating;
  • 4
  • [ 161330-30-9 ]
  • [ 75-08-1 ]
  • [ 1021948-13-9 ]
YieldReaction ConditionsOperation in experiment
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;
  • 5
  • [ 124-38-9 ]
  • [ 1174761-19-3 ]
  • [ 153903-21-0 ]
  • [ 161330-30-9 ]
YieldReaction ConditionsOperation in experiment
Stage #1: N-(tert-butoxycarbonyl)-α-(phenylsulfonyl)-2-fluorobenzylamine With trimethylsilyltributyltin; cesium fluoride In N,N-dimethyl-formamide at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: carbon dioxide In N,N-dimethyl-formamide at 100℃; for 3h; Autoclave; Stage #3: With hydrogenchloride In diethyl ether; water; N,N-dimethyl-formamide Inert atmosphere;
  • 6
  • [ 4248-19-5 ]
  • [ 153903-21-0 ]
  • [ 161330-30-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: formic acid / methanol; water / 60 h / 20 °C / Inert atmosphere 2.1: trimethylsilyltributyltin; cesium fluoride / N,N-dimethyl-formamide / 0.08 h / 20 °C / Inert atmosphere 2.2: 3 h / 100 °C / 7500.75 Torr / Autoclave 2.3: pH 2 / Inert atmosphere
  • 7
  • [ 446-52-6 ]
  • [ 153903-21-0 ]
  • [ 161330-30-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: formic acid / methanol; water / 60 h / 20 °C / Inert atmosphere 2.1: trimethylsilyltributyltin; cesium fluoride / N,N-dimethyl-formamide / 0.08 h / 20 °C / Inert atmosphere 2.2: 3 h / 100 °C / 7500.75 Torr / Autoclave 2.3: pH 2 / Inert atmosphere
  • 8
  • [ 124-38-9 ]
  • [ 1358791-63-5 ]
  • [ 161330-30-9 ]
YieldReaction ConditionsOperation in experiment
Stage #1: carbon dioxide; N-(tert-butoxycarbonyl)-α-(tributylstannyl)-2-fluorobenzylamine With cesium fluoride In N,N-dimethyl-formamide at 100℃; for 3h; Autoclave; Stage #2: With hydrogenchloride In diethyl ether; water; N,N-dimethyl-formamide at 0℃; Inert atmosphere;
  • 9
  • [ 161330-30-9 ]
  • [ 18107-18-1 ]
  • [ 709665-72-5 ]
YieldReaction ConditionsOperation in experiment
In methanol; diethyl ether for 1h; Inert atmosphere;
  • 10
  • [ 161330-30-9 ]
  • [ 25333-42-0 ]
  • [ 1379513-72-0 ]
YieldReaction ConditionsOperation in experiment
100% With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 15h; 20 To a solution of 2-(tert-butoxycarbonylamino)-2-(2-fluorophenyl)acetic acid (155) (1.11 g, 4.12 mmol) in THF (50 ml), Ν,Ν'- methanediylidenedicyclohexanamine (1.02 g, 4.95 mmol), 1H- benzo[d][l,2,3]triazol-l-ol (0.67 g, 4.95 mmol) and (R)-quinuclidin-3-ol (0.63 g, 4.95 mmol) were added. The reaction was stirred at RT for 15h and the solvent was evaporated. The residue was taken up with DCM, the insoluble solid was filtered off and the organic solution was washed twice with aq. Na2CO3 and then brine, dried over Na2SO4 and evaporated to obtain (R)-quinuclidin-3-yl 2-(tert-butoxycarbonylamino)-2-(2-fluorophenyl)acetate (1.56 g; quantitative yield).
100% With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; 20 To a solution of 2-(tert-butoxycarbonylamino)-2-(2-fluorophenyl)acetic acid (I55) (1.11 g, 4.12 mmol) in THF (50 ml), were added N,N'-methanediylidene-dicyclohexanamine (1.02 g, 4.95 mmol), 1H-benzo[d][1,2,3]triazol-1-ol (0.67 g, 4.95 mmol), and (R)-quinuclidin-3-ol (0.63 g, 4.95 mmol). The reaction was stirred at RT for hours, and the solvent was evaporated. The residue was taken up with DCM, the insoluble solid was filtered off, and the organic solution was washed twice with aq. Na2CO3 and then brine, dried over Na2SO4 and evaporated to obtain (R)-quinuclidin-3-yl 2-(tert-butoxycarbonylamino)-2-(2-fluorophenyl)acetate (1.56 g; quantitative yield).
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 18h;
  • 11
  • [ 161330-30-9 ]
  • [ 1379513-73-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / tetrahydrofuran / 15 h / 20 °C 2: ethyl acetate; acetonitrile / 15 h / 20 °C
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; benzotriazol-1-ol / tetrahydrofuran / 20 °C 2: ethyl acetate; acetonitrile / 15 h / 20 °C
  • 12
  • [ 161330-30-9 ]
  • C29H34FN3O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / acetonitrile / 20 °C 2: trifluoroacetic acid / dichloromethane / 20 °C 3: triethylamine / methanol / 2 h / 120 °C / Molecular sieve; Microwave irradiation 4: N-Bromosuccinimide / dichloromethane / 2 h / 20 °C 5: sodium hydroxide; water / methanol; 1,4-dioxane / 65 °C 6: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / acetonitrile / 20 °C 7: trifluoroacetic acid / dichloromethane / 2 h / 20 °C
  • 15
  • [ 161330-30-9 ]
  • C27H31FN2O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / acetonitrile / 20 °C 2: trifluoroacetic acid / dichloromethane / 20 °C 3: triethylamine / methanol / 2 h / 120 °C / Molecular sieve; Microwave irradiation 4: N-Bromosuccinimide / dichloromethane / 2 h / 20 °C
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