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Chemical Structure| 128318-63-8 Chemical Structure| 128318-63-8

Structure of 128318-63-8

Chemical Structure| 128318-63-8

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Product Details of [ 128318-63-8 ]

CAS No. :128318-63-8
Formula : C10H14IN
M.W : 275.13
SMILES Code : NC1=CC=C(C(C)(C)C)C=C1I
MDL No. :MFCD09743667
InChI Key :CDJKVBYMDRNYHT-UHFFFAOYSA-N
Pubchem ID :10802330

Safety of [ 128318-63-8 ]

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

Application In Synthesis of [ 128318-63-8 ]

* 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 [ 128318-63-8 ]

[ 128318-63-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 104190-22-9 ]
  • [ 128318-63-8 ]
  • 1-(2-((2-amino-5-tert-butylphenyl)ethynyl)phenyl)ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20℃; for 5h;Inert atmosphere; To a 50 mL oven-dried flask containing a magnetic stirring bar, Pd(PPh3)2Cl2 (14.0 mg, 0.02 mmol, 1.0 mol %), CuI (2.0 mg, 0.01 mmol, 0.5 mol %), 4-(tert-butyl)-2-iodoaniline (550.0 mg, 2.0 mmol), 2 (317.0 mg,2.2 mmol) [26], and Et3N (10 mL) were added in sequence under argon atmosphere at room temperature. The resulting reaction mixture was stirred for 5 h, then the reaction mixture was filtered through a shortpad of celite, and the solid was washed with EtOAc (20 mL). The combined organic phase was concentrated under reduced pressure, andthe residue was purified by column chromatography on silica gel(eluent: petroleum ether/ethyl acetate=10:1) to afford pure product4c in 75% yield. Yellow solid, mp 91.0-92.0 C. IR ν (KBr, cm-1) 3477,3363, 1682, 1558, 1413, 1334, 1306, 1242, 1201, 1071, 1016, 891,741. 1H NMR (400 MHz, CDCl3) δ (ppm) 7.84-7.82 (m,1H, Ar-H),7.70-7.68 (m, 1H, Ar-H), 7.52-7.48 (m, 1H, Ar-H), 7.40-7.36 (m, 2H,2×Ar-H), 7.21 (dd, J=8.5, 2.3 Hz, 1H, Ar-H), 6.71 (d, J=8.5 Hz,1H, Ar-H), 4.61 (s, 2H, NH2), 2.68 (s, 3H, CH3), 1.29 (s, 9H, 3×CH3).13C NMR (101 MHz, CDCl3) δ 198.9, 147.2, 140.3, 138.3, 134.2, 131.9,129.8, 128.6, 127.9, 127.5, 122.7, 114.4, 106.9, 94.0, 92.6, 34.0, 31.5,28.9. HRMS (TOF MS CI+) calculated for C20H22NO+ [M+H+]+:292.1701, found 292.1696.
 

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