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Structure of 38473-89-1

Chemical Structure| 38473-89-1

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Product Details of [ 38473-89-1 ]

CAS No. :38473-89-1
Formula : C11H13BrO2
M.W : 257.12
SMILES Code : O=C(O)C1=CC=C(C(C)(C)C)C(Br)=C1
MDL No. :MFCD09260828
InChI Key :SHBYNNKZVBDWRW-UHFFFAOYSA-N
Pubchem ID :282992

Safety of [ 38473-89-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 38473-89-1 ]

* 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 [ 38473-89-1 ]

[ 38473-89-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 98-73-7 ]
  • [ 38473-89-1 ]
YieldReaction ConditionsOperation in experiment
36% With bromine; nitric acid; silver nitrate In water; acetic acid for 1 h; Reflux 4-tert-butyl benzoic acid (500 mg, 2.8 mmol) was stirred rapidly in acetic acid (11 mL), nitric acid (1.7 ml.) and bromine (114 μl_, 5.9 mmol). To this was added a solution of silver nitrate (1.01 g, 5.9 mmol) in water (5 mL). A thick yellow precipitate resulted and further acetic acid was added (2 mL) before heating at reflux for 1 h. The hot solution was filtered and water added to the filtrate until a white solid precipitated. The solid was filtered, air dried and recrystallised from acetic acid to give 3-bromo-4-te/t-butyl-benzoic acid as a white solid (263 mg, 36percent). 1H NMR (CDCI3, 300 MHz) δ1.85 (s, 9H, (CHa)3), 7.86 (d, 1H, J = 8.5 Hz, ArH), 8.26 (dd, 1 H, J = 2.0, 8.5 Hz, ArH), 8.62 (d, 1 H1 J = 2.0 Hz).
References: [1] Patent: WO2012/4567, 2012, A2, . Location in patent: Page/Page column 91.
[2] Australian Journal of Chemistry, 1990, vol. 43, # 5, p. 807 - 814.
[3] Patent: WO2010/142956, 2010, A2, . Location in patent: Page/Page column 28-29.
[4] Journal of the Chemical Society, 1958, p. 120,126.
[5] Journal of the Chemical Society, 1958, p. 120,126.
[6] Recueil des Travaux Chimiques des Pays-Bas, 1966, vol. 85, p. 457 - 466.
 

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