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[ CAS No. 6326-42-7 ]

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2D
Chemical Structure| 6326-42-7
Chemical Structure| 6326-42-7
Structure of 6326-42-7 *Storage: {[proInfo.prStorage]}

Quality Control of [ 6326-42-7 ]

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Related Doc. of [ 6326-42-7 ]

SDS

Product Details of [ 6326-42-7 ]

CAS No. :6326-42-7MDL No. :MFCD00277928
Formula :C8H6INO4Boiling Point :-
Linear Structure Formula :C8H6NO4IInChI Key :KRAIRAIRCFXHRZ-UHFFFAOYSA-N
M.W :307.04Pubchem ID :232745
Synonyms :

Computed Properties of [ 6326-42-7 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 6326-42-7 ]

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

Application In Synthesis of [ 6326-42-7 ]

  • Downstream synthetic route of [ 6326-42-7 ]

[ 6326-42-7 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 6326-42-7 ]
  • copper powder [ No CAS ]
  • [ 854869-78-6 ]
  • 2
  • [ 6326-42-7 ]
  • tert-butyl ((S)-1-(((S)-1-((3-(2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-heptadecaoxadopentacontan-52-yl)-4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate [ No CAS ]
  • 3
  • [ 6326-42-7 ]
  • [ 854869-78-6 ]
  • 4
  • [ 6326-42-7 ]
  • [ 98546-30-6 ]
YieldReaction ConditionsOperation in experiment
65% With tin(II) chloride dihdyrate; In ethyl acetate; for 5h;Reflux; A solution of the compound 8 (10.0 g, 32.57 mmol) and SnCl2. 2 hi) (22.04 g, 97,69 mmol, 3 equiv.) in EtOAc ( 150 mL) was refluxed for 5 hours until TLC (EtOAc/hexane, 1 : 1) indicated that reaction was complete. The reaction mixture was poured in a 500 ml beaker and it was diluted with 100 ml of EtOAc followed by the addition of potassium carbonate and 200 ml of deionized water and the two layer mixture was stirred for 30 minutes. The milky suspension was filtered through a short bed of CELITE and the organic layer was separated. The combined organic layer was sequentially treated with saturated brine and anhydrous Na2S0 . Purification by flash column chromatography using EtOAc: petroleum ether (1 : 1) afforded a pale yellow solid 9 (5.86 g, 65% yield). [0396] FontWeight="Bold" FontSize="10" 1I NMR (400 MHz, CDC13, TMS) delta 3.86 (s, 3H), 4.01 (broad singlet, 2H), 6.58-6.64 (dd, IH, Jj = 2.29 Hz, J2 = 8.70 Hz), 7.30 (d, 1H, J = 2.29 Hz), 7.77 (d, 1H, J - 8.24 Hz). 1 C NMR (100 MHz, CDC13) delta: 51.87, 96.53, 1 13,44, 127,03, 132.95, 150,24, 165,92, MS (ESI): m/z (%) 300. 9 (M Xa }
With water; iron; ammonium chloride; In ethanol; at 80℃; for 4h; [0001173] To a mixture of ammonium chloride (122 g) and iron (38.2 g) in ethanol (1000 mL) and water (100 mL) was added Example 2.140.2 (70 g,) at room temperature. The mixture was stirred at 80 C for 4 hours and filtered to remove insoluble material. The filtrate was concentrated under reduced pressure. The residue was dissolved in ethyl acetate (1000 mL) and washed with water (500 mL). The aqueous phase was extracted with ethyl acetate (1000 mL x 2). The combined organic phase was washed with brine, dried over MgSO/i, filtered and concentrated to give the title compound. MS (LC-MS) m/e 278.0 (M+H)+.
With water; iron; ammonium chloride; In ethanol; at 20 - 80℃; for 4h; To a mixture of ammonium chloride (122 g) and iron (38.2 g) in ethanol (1000 mL) and water (100 mL) was added Example 2.140.2 (70 g,) at room temperature. The mixture was stirred at 80 C for 4 hours and filtered to remove insoluble material. The filtrate was concentrated under reduced pressure. The residue was dissolved in ethyl acetate (1000 mL) and washed with water (500 mL). The aqueous phase was extracted with ethyl acetate (1000 mL x 2). The combined organic phase was washed with brine, dried over MgSO4, filtered and concentrated to give the title compound. MS (LC-MS) m/e 278.0 (M+H)+.
With iron; ammonium chloride; In ethanol; water; at 20 - 80℃; for 4h; 2.140.3 methyl 4-amino-2-iodobenzoate to a mixture of ammonium chloride (122 g) and iron (38.2 g) in ethanol (1000 mL) and water (100 mL) was added Example 2.140.2 (70 g,) at room temperature. The mixture was stirred at 80 C. for 4 hours and filtered to remove insoluble material. The filtrate was concentrated under reduced pressure. The residue was dissolved in ethyl acetate (1000 mL) and washed with water (500 mL). The aqueous phase was extracted with ethyl acetate (1000 mL*2). ;The combined organic phase was washed with brine, dried over MgSO4, filtered and concentrated to give the title compound. MS (LC-MS) m/e 278.0 (M+H)+.

  • 5
  • [ 6326-42-7 ]
  • [ 80077-72-1 ]
  • [ 1369842-41-0 ]
  • 6
  • [ 6326-42-7 ]
  • 4-(4-azido-2-((4-nitrophenyl)thio)benzamido)-3-methoxybenzoic acid [ No CAS ]
  • 7
  • [ 6326-42-7 ]
  • methyl 4-(4-azido-2-((4-nitrophenyl)thio)benzamido)-3-methoxybenzoate [ No CAS ]
  • 8
  • [ 6326-42-7 ]
  • C13H7ClN4O3S [ No CAS ]
  • 9
  • [ 6326-42-7 ]
  • 4-azido-2-((4-nitrophenyl)thio)benzoic acid [ No CAS ]
  • 10
  • [ 6326-42-7 ]
  • methyl 4-azido-2-((4-nitrophenyl)thio)benzoate [ No CAS ]
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