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[ CAS No. 90381-43-4 ]

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2D
Chemical Structure| 90381-43-4
Chemical Structure| 90381-43-4
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Product Details of [ 90381-43-4 ]

CAS No. :90381-43-4MDL No. :MFCD13659360
Formula : C12H9NO Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :183.21Pubchem ID :10954183
Synonyms :

Computed Properties of [ 90381-43-4 ]

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

Safety of [ 90381-43-4 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 90381-43-4 ]

  • Upstream synthesis route of [ 90381-43-4 ]
  • Downstream synthetic route of [ 90381-43-4 ]

[ 90381-43-4 ] Synthesis Path-Upstream   1~2

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  • [ 90381-43-4 ]
  • [ 130200-58-7 ]
YieldReaction ConditionsOperation in experiment
80% With boron tribromide In dichloromethane for 30 h; A solution of BBr3 (840 μL, 8.8 mmol) in CH2Cl2 (4 mL) is added to a solution of 7-methoxy-2-naphthonitrile (646 mg, 3.53 mmol) in CH2Cl2 (6 mL). The reaction is allowed to stir for 30 hours. Water (about 5 mL) is slowly added. The pH is adjusted to 7 with saturated Na2CO3 then the mixture is extracted with CH2Cl2. The combined organic layers are dried (Na2SO4), filtered and concentrated to dryness. The crude material is purified by column chromatography (step gradient of 1percent MeOH in CH2Cl2 to 5percent MeOH in CH2Cl12) to give 7-hydroxy-2-naphthonitrile as a white solid (477 mg, 80percent). HRMS (EI) calculated for C11H7NO: 169.0528, found 169.0527.
Reference: [1] Helvetica Chimica Acta, 1997, vol. 80, # 3, p. 892 - 896
[2] ACS Medicinal Chemistry Letters, 2016, vol. 7, # 12, p. 1156 - 1160
[3] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 22, p. 7434 - 7445
[4] Patent: US2003/236270, 2003, A1, . Location in patent: Page 39
[5] Journal of the American Chemical Society, 1994, vol. 116, # 23, p. 10593 - 10600
[6] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 3, p. 561 - 566
[7] Journal of Medicinal Chemistry, 2005, vol. 48, # 10, p. 3586 - 3604
[8] Patent: US6562828, 2003, B1,
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  • [ 90381-43-4 ]
  • [ 130200-58-7 ]
Reference: [1] Patent: US6258822, 2001, B1,
[2] Patent: US6284796, 2001, B1,
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