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[ CAS No. 220364-34-1 ]

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2D
Chemical Structure| 220364-34-1
Chemical Structure| 220364-34-1
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Product Details of [ 220364-34-1 ]

CAS No. :220364-34-1MDL No. :MFCD20257493
Formula : C13H18BrNO2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :300.19Pubchem ID :21874548
Synonyms :

Computed Properties of [ 220364-34-1 ]

TPSA : 38.3 H-Bond Acceptor Count : 2
XLogP3 : 3 H-Bond Donor Count : 1
SP3 : 0.46 Rotatable Bond Count : 5

Safety of [ 220364-34-1 ]

Signal Word:DangerClass:8
Precautionary Statements:P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501UN#:3261
Hazard Statements:H302+H312-H314Packing Group:
GHS Pictogram:

Application In Synthesis of [ 220364-34-1 ]

  • Upstream synthesis route of [ 220364-34-1 ]
  • Downstream synthetic route of [ 220364-34-1 ]

[ 220364-34-1 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 226070-69-5 ]
  • [ 220364-34-1 ]
YieldReaction ConditionsOperation in experiment
67% With carbon tetrabromide; triphenylphosphine In dichloromethane at 20℃; The solution of Boc-aminomethylbenzyl alcohol (237 mg), triphenylphosphine (485 mg) and carbon tetrabromide (491 mg) in dichloromethane (10 mL) was stirred at room temperature overnight and then was concentrated. The crude mixture was purified by silica gel chromatography to give the title compound (200 mg; 67percent).
51% With carbon tetrabromide; triphenylphosphine In tetrahydrofuran for 18 h; To an ice-cold solution of 3- (hydroxymethylbenzyl) carbamic acid ter-butyl ester (0.7 g, 3.0 mmol) and CBr4 (1.0 g, 3.1 mmol) in THF (14 mL) was added Ph3P (0. 81 g, 3.1 mmol), and the reaction mixture was stirred for 18 h. The reaction mixture was filtered, and concentrated under reduced pressure. Purification by flash column chromatography (silica, eluent 5: 95 to 15 : 85 EtOAc/hexanes) to afford the 3- (bromomethyl) benzyl- carbamic acid tert-butyl ester as a white solid (0.42 g, 51percent) : I H NMR (300 MHz, MEOD) 8 7.55 (s, 1H), 7.32-7. 27 (m, 2H), 7.21-7. 19 (m, 1H), 4.54 (s, 2H), 4.21 (s, 2H), 1.28 (s, 9H).
51% With carbon tetrabromide; triphenylphosphine In tetrahydrofuran for 18 h; To an ice-cold solution of 3- (hydroxymethylbenzyl) carbamic acid ter-butyl ester (0.7 g, 3.0 mmol) and CBr4 (1.0 g, 3.1 mmol) in THF (14 mL) was added Ph3P (0. 81 g, 3.1 mmol), and the reaction mixture was stirred for 18 h. The reaction mixture was filtered, and concentrated under reduced pressure. Purification by flash column chromatography (silica, eluent 5: 95 to 15 : 85 EtOAc/hexanes) to afford the 3- (bromomethyl) benzyl- carbamic acid tert-butyl ester as a white solid (0.42 g, 51percent) : I H NMR (300 MHz, MEOD) 8 7.55 (s, 1H), 7.32-7. 27 (m, 2H), 7.21-7. 19 (m, 1H), 4.54 (s, 2H), 4.21 (s, 2H), 1.28 (s, 9H).
Reference: [1] Patent: US2006/173183, 2006, A1, . Location in patent: Page/Page column 113
[2] Patent: WO2005/18557, 2005, A2, . Location in patent: Page/Page column 282-283
[3] Patent: WO2005/18557, 2005, A2, . Location in patent: Page/Page column 282-283
[4] Patent: EP1452521, 2004, A1, . Location in patent: Page 55
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  • [ 874-97-5 ]
  • [ 220364-34-1 ]
Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 19, p. 8140 - 8151
[2] Patent: WO2005/18557, 2005, A2,
  • 3
  • [ 24964-64-5 ]
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Reference: [1] Patent: WO2005/18557, 2005, A2,
  • 4
  • [ 28188-41-2 ]
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Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 19, p. 8140 - 8151
  • 5
  • [ 391957-11-2 ]
  • [ 220364-34-1 ]
Reference: [1] Patent: WO2005/18557, 2005, A2,
  • 6
  • [ 586373-51-5 ]
  • [ 220364-34-1 ]
Reference: [1] Patent: WO2005/18557, 2005, A2,
  • 7
  • [ 24424-99-5 ]
  • [ 34231-22-6 ]
  • [ 220364-34-1 ]
Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 19, p. 8140 - 8151
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