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[ CAS No. 850449-93-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 850449-93-3
Chemical Structure| 850449-93-3
Structure of 850449-93-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 850449-93-3 ]

Related Doc. of [ 850449-93-3 ]

SDS

Product Details of [ 850449-93-3 ]

CAS No. :850449-93-3MDL No. :MFCD11655592
Formula : C10H13NO2 Boiling Point : 298.288°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :179.22Pubchem ID :46741401
Synonyms :

Computed Properties of [ 850449-93-3 ]

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

Safety of [ 850449-93-3 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 850449-93-3 ]

  • Upstream synthesis route of [ 850449-93-3 ]
  • Downstream synthetic route of [ 850449-93-3 ]

[ 850449-93-3 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 287119-84-0 ]
  • [ 850449-93-3 ]
YieldReaction ConditionsOperation in experiment
98% at 20℃; for 15.00 h; Step 3: methyl 2-(2-methyl-5-nitrophenyl)acetate Ex.4b was dissolved in ethanol (60 mL). To this solution was added a spatula of 10percent palladium on carbon. After that the mixture was degassed, a balloon filled with hydrogen was fitted. The reaction was stirred at rt for 15h. The reaction was monitored by TLC. The reaction mixture was filtered through a pad of Celite. The filtrate was concentrated under reduced pressure and dried at high vacuum to afford methyl 2-(5-amino-2-methylphenyl)acetate (3.61 g, 98percent) in a high purity grade. No further purification was needed.
96% at 20℃; for 2.00 h; Step 3: methyl 2-(2-methyl-5-nitrophenyl)acetate Ex.3b (2.55 g, 12.19 mmol) was dissolved in ethanol (60 mL). To this solution was added 10percent palladium on carbon (ca 260 mg). The mixture was degassed with N2 and a balloon filled with hydrogen was fitted. The reaction was stirred at rt for 2h. The reaction mixture was filtered through a pad of Celite. The filtrate was concentrated under reduced pressure and dried under high vacuum to afford the desired product in a high purity grade (2.10 g, 96percent).
Reference: [1] Patent: WO2018/138354, 2018, A1. Location in patent: Page/Page column 38
[2] Patent: WO2018/138359, 2018, A1. Location in patent: Page/Page column 41; 42
[3] Journal of the Chemical Society, Perkin Transactions 1, 2000, # 10, p. 1601 - 1608
[4] Patent: WO2008/51757, 2008, A1. Location in patent: Page/Page column 33; 34
[5] Patent: WO2005/34869, 2005, A2. Location in patent: Page/Page column 42
[6] Patent: WO2009/105712, 2009, A1. Location in patent: Page/Page column 37; 39
[7] Patent: WO2005/34869, 2005, A2. Location in patent: Page/Page column 42
  • 2
  • [ 287119-83-9 ]
  • [ 850449-93-3 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1, 2000, # 10, p. 1601 - 1608
[2] Patent: WO2018/138354, 2018, A1
[3] Patent: WO2018/138359, 2018, A1
[4] Patent: WO2009/105712, 2009, A1
[5] Patent: WO2005/34869, 2005, A2
  • 3
  • [ 644-36-0 ]
  • [ 850449-93-3 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1, 2000, # 10, p. 1601 - 1608
[2] Patent: WO2018/138354, 2018, A1
[3] Patent: WO2018/138359, 2018, A1
  • 4
  • [ 409082-11-7 ]
  • [ 850449-93-3 ]
Reference: [1] Patent: WO2009/105712, 2009, A1
[2] Patent: WO2005/34869, 2005, A2
  • 5
  • [ 409082-10-6 ]
  • [ 850449-93-3 ]
Reference: [1] Patent: WO2009/105712, 2009, A1
[2] Patent: WO2005/34869, 2005, A2
  • 6
  • [ 22474-47-1 ]
  • [ 850449-93-3 ]
Reference: [1] Patent: WO2009/105712, 2009, A1
[2] Patent: WO2005/34869, 2005, A2
  • 7
  • [ 1975-52-6 ]
  • [ 850449-93-3 ]
Reference: [1] Patent: WO2009/105712, 2009, A1
[2] Patent: WO2005/34869, 2005, A2
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