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[ CAS No. 53222-92-7 ]

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Chemical Structure| 53222-92-7
Chemical Structure| 53222-92-7
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CAS No. :53222-92-7 MDL No. :MFCD00190581
Formula : C7H9NO Boiling Point : 221.8°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :123.15 g/mol Pubchem ID :104448
Synonyms :

Safety of [ 53222-92-7 ]

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

Application In Synthesis of [ 53222-92-7 ]

  • Upstream synthesis route of [ 53222-92-7 ]
  • Downstream synthetic route of [ 53222-92-7 ]

[ 53222-92-7 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 95-53-4 ]
  • [ 2836-00-2 ]
  • [ 53222-92-7 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1986, # 4, p. 625 - 629
[2] Bulletin de la Societe Chimique de France, 1986, # 4, p. 625 - 629
  • 2
  • [ 5460-31-1 ]
  • [ 53222-92-7 ]
YieldReaction ConditionsOperation in experiment
99% With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24 h; A stirred mixture of 2-Methyl-3-nitrophenol 5 (2.0g, 13.1mmol) in MeOH (50mL) at room temperature was treated with 10wtpercent palladium on charcoal (100mg). Hydrogen gas was passed through the mixture for 24h, and then the palladium on charcoal was removed by filtration through Celite. The filtrate was concentrated in vacuo, and was obtained as darked solid (1.62g, 99percent). 1H NMR (CD3OD, δ=3.31ppm, 400MHz): 6.77–6.73, (t, 1H), 6.29–6.27 (d, 1H), 6.22–6.20 (d, 1H), 2.02 (s, 3H). 13C NMR (CD3OD, δ=49.00ppm, 100MHz): 156.7, 147.5, 127.2, 110.9, 108.8, 106.7, 9.2. HRMS (ESI) m/z: Anal. calcd. for [M+H]+ C7H10NO: 124.0757; found 124.0759.
99% With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24 h; 2-methyl-3-nitrophenol (2.0 g, 13.1 mmol) was dissolved in methanol (50 mL) at room temperature and then 10 wtpercent palladium on charcoal (100 mg) . The reaction mixture was stirred under hydrogen gas for 24 hours, then 10percent by weight palladium / charcoal was filtered through celite. The filtrate was concentrated in vacuo to give the desired compound (1.62 g, 99percent yield) as a solid.
Reference: [1] Patent: US5952362, 1999, A,
[2] Patent: EP887346, 1998, A2,
[3] European Journal of Medicinal Chemistry, 2017, vol. 125, p. 87 - 100
[4] Patent: KR2017/31307, 2017, A, . Location in patent: Paragraph 0182-0184
[5] Journal of Medicinal Chemistry, 2010, vol. 53, # 5, p. 1964 - 1978
[6] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 23, p. 7170 - 7174
[7] Chemische Berichte, 1884, vol. 17, p. 1959
[8] Chemische Berichte, 1904, vol. 37, p. 1021
[9] Journal of Organic Chemistry, 1989, vol. 54, # 15, p. 3740 - 3744
[10] Chemical Communications, 2005, # 15, p. 2026 - 2028
[11] Patent: US4579951, 1986, A,
  • 3
  • [ 95-53-4 ]
  • [ 2836-00-2 ]
  • [ 53222-92-7 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1986, # 4, p. 625 - 629
[2] Bulletin de la Societe Chimique de France, 1986, # 4, p. 625 - 629
  • 4
  • [ 603-83-8 ]
  • [ 53222-92-7 ]
Reference: [1] Chemische Berichte, 1884, vol. 17, p. 1959
[2] Chemische Berichte, 1904, vol. 37, p. 1021
  • 5
  • [ 606-20-2 ]
  • [ 53222-92-7 ]
Reference: [1] Chemische Berichte, 1904, vol. 37, p. 1021
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