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[ CAS No. 399-30-4 ]

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2D
Chemical Structure| 399-30-4
Chemical Structure| 399-30-4
Structure of 399-30-4 *Storage: {[proInfo.prStorage]}

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Product Details of [ 399-30-4 ]

CAS No. :399-30-4MDL No. :MFCD04629633
Formula : C8H10FN Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :139.17Pubchem ID :2060842
Synonyms :

Computed Properties of [ 399-30-4 ]

TPSA : 12 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.25 Rotatable Bond Count : 2

Safety of [ 399-30-4 ]

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

Application In Synthesis of [ 399-30-4 ]

  • Upstream synthesis route of [ 399-30-4 ]
  • Downstream synthetic route of [ 399-30-4 ]

[ 399-30-4 ] Synthesis Path-Upstream   1~8

  • 1
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YieldReaction ConditionsOperation in experiment
86% With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 10 h; Inert atmosphere; Reflux Example 4
Synthesis of 2-Fluoro-N-methylbenzylamine 11
To a stirred solution of 16 (135.6 mg, 0.5 mmol, 1.0 equiv.) in dry THF (5 mL) was added LiAlH4 (38 mg, 1.0 mmol, 2.0 equiv.) at 0° C. under nitrogen.
The reaction mixture was then heated to reflux and stirred for 10 h.
After cooling to r.t., the reaction mixture was quenched with water and extracted with diethyl ether (10 mL*3).
2-Fluoro-N-methylbenzylamine 11 was isolated by acid/basic extraction, using 2 N HCl and 2 N NaOH, and evaporation under vacuum (15 Ton) as colorless oil (60 mg, 86percent yield).
Reference: [1] Journal of the American Chemical Society, [2] Journal of the American Chemical Society, 2009, vol. 131, p. 7520 - 7521
[3] Patent: US2012/59179, 2012, A1, . Location in patent: Page/Page column 17
  • 2
  • [ 446-48-0 ]
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Reference: [1] Patent: US2012/196824, 2012, A1,
[2] Chemische Berichte, 1930, vol. 63, p. 2407,2410
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Reference: [1] Journal of the Chemical Society - Perkin Transactions 1, 1998, # 16, p. 2527 - 2531
[2] Patent: WO2016/101885, 2016, A1, . Location in patent: Paragraph 0227; 0228; 0229; 0230; 0231; 0232
  • 4
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Reference: [1] Patent: WO2005/95343, 2005, A1, . Location in patent: Page/Page column 40
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Reference: [1] Patent: US2012/59179, 2012, A1,
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Reference: [1] Patent: US2012/59179, 2012, A1,
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Reference: [1] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4693 - 4707
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Reference: [1] Patent: US2012/59179, 2012, A1,
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