[ CAS No. 618-30-4 ]

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2D
Chemical Structure| 618-30-4
Chemical Structure| 618-30-4
Structure of 618-30-4

Quality Control of [ 618-30-4 ]

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Related Doc. of [ 618-30-4 ]

SDS

Product Details of [ 618-30-4 ]

CAS No. :618-30-4MDL No. :MFCD00093272
Formula :C5H3ClO3Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :146.53Pubchem ID :-
Synonyms :

Computed Properties of [ 618-30-4 ]

TPSA : 50.4 H-Bond Acceptor Count : 3
XLogP3 : 1.8 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 618-30-4 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 618-30-4 ]

  • Upstream synthesis route of [ 618-30-4 ]
  • Downstream synthetic route of [ 618-30-4 ]

[ 618-30-4 ] Synthesis Path-Upstream   1~7

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YieldReaction ConditionsOperation in experiment
95% With sodium hydroxide; ammonia; water; silver nitrate In methanol at 20℃; for 0.50 h; Example 7: Synthesis of N-(5-chlorofuran-2-ylcarbonyl)-3,7- diazabicyclo [3.3.0] octane trifluoroacetate Example 7 relates to the synthesis of 5-chlorofuran-2- yl(hexahydropyrrolo[3,4-c]pyrrol-2-yl)methanone trifluoroacetate (or N-(5- chlorofuran-2-ylcarbonyl)-3,7-diazabicyclo[3.3.0]octane trofluoroacetate), which was prepared according to the following techniques, illustrative of the coupling reaction used to make heteroaromatic amides of 3,7-diazabicyclo[3.3.0]octane: S-Chlorofuran-l-carboxylic acid; Aqueous sodium hydroxide (80 mL of 10percent) was added to a solution of silver nitrate (8.0 g, 47 mmol) in water (20 mL). This suspension was stirred and slowly treated with 30percent aqueous ammonium hydroxide until it became clear. A solution of S-chlorofuran^-carboxaldehyde (3.0 g, 23 mmol) (Aldrich Chemical) in methanol (5 mL) was added, and the resulting mixture was stirred at ambient temperature for 30 min. The reaction mixture was filtered, and the filtrate was washed with ether (100 mL). The aqueous filtrate was then made acidic (~pH 3) by the addition of cold 20percent sulfuric acid. The resulting mixture was extracted with ethyl acetate (3 x 100 mL). The extracts were washed with saturated aqueous sodium chloride solution (100 mL), dried (anhydrous sodium sulfate) and concentrated under vacuum to give 3.2 g (95percent yield) of white solid (mp 178- 1790C). This reaction was easily scalable and was run multiple times at >10 g scale.
Reference: [1] Patent: WO2008/57938, 2008, A1. Location in patent: Page/Page column 32
[2] Patent: WO2008/67644, 2008, A1. Location in patent: Page/Page column 36
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Reference: [1] Patent: US5840917, 1998, A
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Reference: [1] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 19, p. 5213 - 5224
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Reference: [1] Journal of the American Chemical Society, 1949, vol. 71, p. 2257
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Reference: [1] American Chemical Journal, 1890, vol. 12, p. 38
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Reference: [1] Nippon Kagaku Zasshi, 1958, vol. 79, p. 1366,1369[2] Chem.Abstr., 1960, p. 24633
[3] Iowa State College Journal of Science, 1932, vol. 6, p. 137,139
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Reference: [1] Iowa State College Journal of Science, 1932, vol. 6, p. 137,139
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