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Chemical Structure| 56138-96-6 Chemical Structure| 56138-96-6

Structure of 56138-96-6

Chemical Structure| 56138-96-6

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Product Details of [ 56138-96-6 ]

CAS No. :56138-96-6
Formula : C33H29N
M.W : 439.59
SMILES Code : NC1=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C=C(C)C=C1C(C4=CC=CC=C4)C5=CC=CC=C5
MDL No. :MFCD23704470
InChI Key :NCXCFZUKRMOFHW-UHFFFAOYSA-N
Pubchem ID :97182226

Safety of [ 56138-96-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 56138-96-6 ]

* 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 [ 56138-96-6 ]

[ 56138-96-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 34374-88-4 ]
  • [ 56138-96-6 ]
  • 2,4,6-tris(((2,6-dibenzhydryl-4-methylphenyl)amino)methylene)cyclohexane-1,3,5-trione [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% In ethanol; for 72h;Reflux; 2.2d Tris-Schiff base 4: A suspension of I (1.00 g,2.27mmol) and <strong>[34374-88-4]2,4,6-trihydroxybenzene-1,3,5-tricarbaldehyde</strong>(0.16 g, 0.76mmol) in ethanol (60mL) was boiled underreflux for three days and the reaction was concentrated to 10mL under vacuum to yield an orange precipitate. This solidwas filtered andwashed with cold ethanol to yield analyticallypure 4. Yield: 85percent (0.96 g, 0.65 mmol). M.p.: 218?220°C.Anal. Calcd. for C108H87N3O3 (Mr : 1474.86) (percent): C, 87.95;H, 5.95; N, 2.85. Found: C, 87.66; H, 5.90; N, 2.98. IR (KBr,nu /cm?1): 3436 (w, br), 3055 (w), 3026 (w), 2925 (w), 2854(w), 1602 (s), 1588 (vs), 1494 (w), 1443 (m), 1260 (w), 1029(w), 1017 (w), 745 (w), 699 (m). 1HNMR(CDCl3, 400MHz):delta 2.17, 2.18, 2.20 (each s, 3×3H,CH3), 5.61 (s,4H, Ph2CH),5.64 (s, 2H, Ph2CH), 6.70, 6.71, 6.72 (each s, 3 × 2H, ArH),7.00?7.04 (m, 24H, ArH), 7.06?7.10 (m, 8H, ArH), 7.14-7.19 (m, 18H, ArH), 7.20?7.25 (m, 10H, ArH), 7.47, 7.51,7.72 (each d, JHH= 13.2 Hz, 3 × 1H, HNCH), 11.72, 11.84,11.28 (each d, JHH= 13.2 Hz, 3 × 1H, HNCH). 13C{1H}NMR (CDCl3, 100.6MHz): delta 21.77 (CH3), 21.79 (CH3),52.14 (Ph2CH), 52.19 (Ph2CH), 52.22 (Ph2CH), 106.07 (C),106.10 (C), 106.14 (C), 106.36 (C), 126.62 (CH), 126.65(CH), 126.66 (CH), 128.53 (CH), 128.55 (CH), 129.54 (CH),129.57 (CH), 129.61 (CH), 129.63 (CH), 136.01 (C), 136.03(C), 137.22 (C), 137.24 (C), 137.25 (C), 140.87 (C), 140.88(C), 141.03 (C), 141.10 (C), 142.66 (C), 142.67 (C), 142.79(C), 142.80 (C), 156.77 (CH), 157.40 (CH), 157.79 (CH),158.29 (CH), 181.38 (C), 184.92 (CO), 184.95 (CO), 188.26(CO). ESI-MS: m/z calcd.: 1474.6826, found: 1474.6906 [M+ H]+. Crystals of 4·2CHCl3·2CH3OH suitable for X-raydiffraction were obtained from a CHCl3-CH3OH solution(25mL) through slow evaporation over 5?7 days at ambienttemperature.
 

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