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Chemical Structure| 17356-09-1 Chemical Structure| 17356-09-1

Structure of 17356-09-1

Chemical Structure| 17356-09-1

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Product Details of [ 17356-09-1 ]

CAS No. :17356-09-1
Formula : C9H11I
M.W : 246.09
SMILES Code : CC(C)C1=CC=C(I)C=C1
MDL No. :MFCD00013711
InChI Key :PQJOSEVTIKYWLH-UHFFFAOYSA-N
Pubchem ID :87073

Safety of [ 17356-09-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362-P403-P501

Application In Synthesis of [ 17356-09-1 ]

* 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.

  • Downstream synthetic route of [ 17356-09-1 ]

[ 17356-09-1 ] Synthesis Path-Downstream   1~4

  • 3
  • [ 17356-09-1 ]
  • [ 10601-99-7 ]
  • [ 1206102-98-8 ]
YieldReaction ConditionsOperation in experiment
With sodium azide; sodium L-ascorbate; triethylamine;copper(l) iodide; N,N`-dimethylethylenediamine; In water; dimethyl sulfoxide; at 20℃; for 2h; Example 5a: 3-[l-(4-isopropylphenyl)-l/f-l,2,3-triazol-4-yl]benzoic acid (5-3); [000233] A mixture of l-iodo-4-isopropylbenzene (5-1) (123 mg, 0.5 mmol), sodium azide (34 mg, 0.52 mmol), <strong>[10601-99-7]3-ethynylbenzoic acid</strong> (5-2) (73 mg, 0.5 mmol), CuI (10 mg), MeNHCH2CH2NHMe (11 muL), Et3N (51 mg, 0.5 mmol), sodium ascorbate (10 mg), DMSO-H2O (v/v 5: l, 1.5 mL) is stirred at room temperature for 2 hours followed by the addition of 2 mL of IM HCl. The resulting mixture is poured into ethyl acetate (100 mL), washed with water (10 mL) and brine (10 mL), dried over Na2SO4, filtered and evaporated. The residue is purified on slilica gel (0-100% ethyl acetate in hexane) to give 3-[l-(4-isopropylphenyl)-l/f- l,2,3-triazol-4-yl]benzoic acid (5-3) as a white solid. 1H NMR (DMSO-d6) delta (ppm) 9.42 (s, IH), 8.53 (dd, J=1.6, 1.6 Hz, IH), 8.20 (ddd, J=8.0, 1.6, 1.2 Hz, IH), 7.95 (ddd, J=8.0, 1.6, 1.2 Hz, IH), 7.89 (dm, J=8.8 Hz, 2H), 7.64 (dd, J=8.4, 8.0 Hz, IH), 7.51 (dm, J=8.8 Hz, 2H), 3.00 (septet, J=6.8 Hz, IH), 1.26 (d, J=6.8 Hz, 6H). HPLC-MS calculated for Ci8H17N3O2 (M +H+) 308.13, found 308.10.
  • 4
  • [ 17356-09-1 ]
  • [ 23152-99-0 ]
  • 5,6-bis(4-isopropylphenyl)-3-methyl-2H-pyran-2-one [ No CAS ]
 

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