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Product Details of [ 73502-03-1 ]

CAS No. :73502-03-1 MDL No. :MFCD11045607
Formula : C10H12O3 Boiling Point : -
Linear Structure Formula :- InChI Key :SEVHDRXGLLXUQE-UHFFFAOYSA-N
M.W : 180.20 Pubchem ID :11745224
Synonyms :

Safety of [ 73502-03-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 73502-03-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 73502-03-1 ]
  • Downstream synthetic route of [ 73502-03-1 ]

[ 73502-03-1 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 73502-03-1 ]
  • [ 28281-76-7 ]
Reference: [1] Chemische Berichte, 1883, vol. 16, p. 1964
  • 2
  • [ 73502-03-1 ]
  • [ 73502-04-2 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 5, p. 1428 - 1433
  • 3
  • [ 73502-03-1 ]
  • [ 3168-59-0 ]
Reference: [1] Chemische Berichte, 1883, vol. 16, p. 1964
  • 4
  • [ 73502-03-1 ]
  • [ 22246-66-8 ]
Reference: [1] Patent: WO2006/138549, 2006, A1,
[2] Patent: WO2007/84451, 2007, A1,
  • 5
  • [ 73502-03-1 ]
  • [ 659737-57-2 ]
Reference: [1] Patent: WO2006/138549, 2006, A1,
  • 6
  • [ 73502-03-1 ]
  • [ 788081-99-2 ]
YieldReaction ConditionsOperation in experiment
98% With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 3 h; Heating / reflux Intermediate 12:Compound 11 (4.4 g, 24.2 mmol) was dissolved in carbon tetrachloride (80 ml_) and N-bromosuccinimide (4.48 g, 24.2 mmol) and benzoyl peroxide (276 mg, 1.13 mmol) were added. The reaction mixture was stirred at reflux for 3 hours and then solids were filtered and washed with ether. The combined organic layers were washed with water, dried over sodium sulfate, and concentrated to provide the desired product 12 (6.1 g, 98percent). Mass calculated for formula C10H11 BrO3 259.10, observed LCMS m/z 260 (M+H), NMR (H1); 4.50(2H,CH2- Br) 3.73(3H, -OCH3),3.88(3 H, CO2-CH3),6.86-7.5(m,3H,Aromatic)
98% With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 3 h; Reflux Part B: Compound 2 (4.4 g, 24.2 mmol) was dissolved in carbon tetrachloride (80 ml_) and N-bromosuccinimide (4.48 g, 24.2 mmol) and benzoyl peroxide (276 mg, 1.13 mmol) were added. The reaction mixture was stirred at reflux for 3 hours and then solids were filtered and washed with ether. The combined organic layers were washed with water, dried over sodium sulfate, and concentrated to provide the desired product 3 (6.1 g, 98percent).
98% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 2 h; Heating / reflux A mixture of ( 5.68 g, 31.1 mmol), NBS(6.74 g, 37.9 mmol), AIBN (259 mg,1.58 mmol) in carbon tetrachloride was refluxed for 2 hr. The reaction mixture was cooled at room temperature and the solid was filtrated under vacuum. The filtrate was concentrated in vacuo to obtain (75) (8.01 g, >98 percent ) as an oil without purification.
98% With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 3 h; Heating / reflux Part B: Compound 301 (4.4 g, 24.2 mmol) was dissolved in carbon tetrachloride (80 mL) and N-bromosuccinimide (4.48 g, 24.2 mmol) and benzoyl peroxide (276 mg, 1.13 mmol) were added. The reaction mixture was stirred at reflux for 3 hours and then solids were filtered and washed with ether. The combined organic layers were washed with water, dried over sodium sulfate, and concentrated to provide the desired product 302 (6.1 g, 98percent).

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 17, p. 5286 - 5289
[2] Patent: WO2009/14637, 2009, A2, . Location in patent: Page/Page column 70
[3] Patent: WO2010/54279, 2010, A1, . Location in patent: Page/Page column 100
[4] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 24, p. 7283 - 7287
[5] Patent: WO2006/138549, 2006, A1, . Location in patent: Page/Page column 73
[6] Patent: WO2007/84451, 2007, A1, . Location in patent: Page/Page column 134
[7] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 1, p. 222 - 227
[8] Patent: US2010/160303, 2010, A1, . Location in patent: Page/Page column 27-28
[9] Journal of Medicinal Chemistry, 2013, vol. 56, # 21, p. 8561 - 8578
[10] Tetrahedron, 2018, vol. 74, # 2, p. 224 - 239
[11] ChemMedChem, 2018, vol. 13, # 15, p. 1530 - 1540
[12] Patent: EP3401315, 2018, A1, . Location in patent: Paragraph 0134; 0136
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