[ CAS No. 18761-31-4 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 18761-31-4
Chemical Structure| 18761-31-4
Structure of 18761-31-4

Quality Control of [ 18761-31-4 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 18761-31-4 ]

SDS

Product Details of [ 18761-31-4 ]

CAS No. :18761-31-4MDL No. :MFCD00456542
Formula :C8H5NO3Boiling Point :273.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :163.13Pubchem ID :595897
Synonyms :

Computed Properties of [ 18761-31-4 ]

TPSA : 59 H-Bond Acceptor Count : 3
XLogP3 : 2.2 H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 18761-31-4 ]

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

Application In Synthesis of [ 18761-31-4 ]

  • Upstream synthesis route of [ 18761-31-4 ]
  • Downstream synthetic route of [ 18761-31-4 ]

[ 18761-31-4 ] Synthesis Path-Upstream   1~15

  • 1
  • [ 77123-61-6 ]
  • [ 18761-31-4 ]
YieldReaction ConditionsOperation in experiment
60% With sodium acetate In N,N-dimethyl-formamide at 100℃; for 16.00 h; Step 1c.
5-Nitrobenzofuran (Compound 104)
A mixture of compound 103 (7.30 g, 30.8 mmol), sodium acetate (10.1 g, 123 mmol) and N,N-dimethylformamide (70 mL) was stirred and heated to 100° C. for 16 hours.
The precipitate was filtered and washed with N,N-dimethylformamide.
The combined filtrate was evaporated to leave a residue which was purified through a short silica gel column (eluant: ethyl acetate/petroleum ether=1/10) to provide the title compound 104 as a brown solid (3.0 g, 60percent).
Reference: [1] Patent: US2009/76044, 2009, A1. Location in patent: Page/Page column 25
  • 2
  • [ 10242-12-3 ]
  • [ 18761-31-4 ]
Reference: [1] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[2] Chem.Abstr., 1953, p. 9957
[3] Helvetica Chimica Acta, 1948, vol. 31, p. 75
[4] Patent: US2003/195201, 2003, A1
  • 3
  • [ 6965-69-1 ]
  • [ 18761-31-4 ]
YieldReaction ConditionsOperation in experiment
19% at 60℃; for 0.75 h; Preparation 100; 5-Nitro-benzofuran ; The product of preparation 100 (94.7g, 31mmol) and acetic anhydride (875mL) were heated at 60°C until the solution cleared. Anhydrous sodium acetate (94.7g, 1. 15mol) was then added and heating continued for 45 minutes. The reaction was quenched with water (12L) and the aqueous solution was basified to pH 10 with concentrated ammonium hydroxide solution and filtered. Trituration of the residue with diethyl ether (3x200mL) afforded the title compound as a pale yellow powder in 19percent yield, 12.9g. m. p. 111-113°C. MS ES+ m/z 163 [MH] +
Reference: [1] Patent: WO2005/82866, 2005, A2. Location in patent: Page/Page column 96-97
  • 4
  • [ 863659-53-4 ]
  • [ 18761-31-4 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 32, p. 7746 - 7755
  • 5
  • [ 6965-69-1 ]
  • [ 10242-12-3 ]
  • [ 18761-31-4 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1983, vol. 56, # 9, p. 2762 - 2767
  • 6
  • [ 100-02-7 ]
  • [ 18761-31-4 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 32, p. 7746 - 7755
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988, p. 3029 - 3036
  • 7
  • [ 121045-24-7 ]
  • [ 18761-31-4 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988, p. 3029 - 3036
  • 8
  • [ 18377-45-2 ]
  • [ 18761-31-4 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 32, p. 7746 - 7755
  • 9
  • [ 1568-66-7 ]
  • [ 18761-31-4 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 32, p. 7746 - 7755
  • 10
  • [ 19182-96-8 ]
  • [ 18761-31-4 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 32, p. 7746 - 7755
  • 11
  • [ 197314-78-6 ]
  • [ 18761-31-4 ]
Reference: [1] Journal of the Chemical Society - Perkin Transactions 1, 1997, # 17, p. 2483 - 2493
  • 12
  • [ 97-51-8 ]
  • [ 18761-31-4 ]
Reference: [1] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[2] Chem.Abstr., 1953, p. 9957
[3] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[4] Chem.Abstr., 1953, p. 9957
[5] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[6] Chem.Abstr., 1953, p. 9957
[7] Gazzetta Chimica Italiana, 1956, vol. 86, p. 1257,1267
  • 13
  • [ 3199-61-9 ]
  • [ 18761-31-4 ]
Reference: [1] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[2] Chem.Abstr., 1953, p. 9957
[3] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[4] Chem.Abstr., 1953, p. 9957
  • 14
  • [ 69604-00-8 ]
  • [ 10242-12-3 ]
  • [ 18761-31-4 ]
Reference: [1] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[2] Chem.Abstr., 1953, p. 9957
[3] Gazzetta Chimica Italiana, 1956, vol. 86, p. 1257,1267
  • 15
  • [ 69604-00-8 ]
  • [ 18761-31-4 ]
Reference: [1] Nippon Kagaku Zasshi, 1952, vol. 73, p. 282,285[2] Chem.Abstr., 1953, p. 9957
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