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Chemical Structure| 29214-60-6 Chemical Structure| 29214-60-6

Structure of 29214-60-6

Chemical Structure| 29214-60-6

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Product Details of [ 29214-60-6 ]

CAS No. :29214-60-6
Formula : C12H22O3
M.W : 214.30
SMILES Code : CCCCCCC(C(C)=O)C(OCC)=O
MDL No. :MFCD00026889

Safety of [ 29214-60-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H315-H319-H335
Precautionary Statements:P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501

Application In Synthesis of [ 29214-60-6 ]

* 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 [ 29214-60-6 ]

[ 29214-60-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 29214-60-6 ]
  • [ 136-77-6 ]
  • 3,6-dihexyl-7-hydroxy-4-methylcoumarin [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With sulfuric acid; at 0 - 5℃; for 4h; <strong>[136-77-6]4-Hexylresorcinol</strong> (1.50 g, 7.72 mmol) and ethyl 2-hexylacetoacetate(1.65 g, 7.72 mmol) were dissolved in concentratedsulfuric acid (10 mL) and stirred 4 h at 0-5 C. Then the reaction mixturepoured into ice water. The product was filtered and washed withwater until neutral. The crude product was purified by crystallizationffirom ethyl acetate. Yield: 2.30 g (86%). M.p. 105-107 C. U3mVa-xVis(nm) (log ) in CHCl3: 330 (4.98). 1H NMR (CDCl3): 4H, ppm 7.38 (brd s;1H, Ar-OH), 7.33 (s; 1H, Ar-CH), 7.18 (s; 1H, Ar-CH), 2.71-2.64 (m;4H, C=C-CH2), 2.42 (s; 3H, C=C-CH3), 1.69-1.63 (m; 2H, CH2),1.57-1.51 (m; 2H, CH2), 1.41-1.33 (m; 12H, 6CH2), 0.93-0.90 (m; 6H,2CH3). 13C NMR (CDCl3): 4H, ppm 163.33 (C=O), 156.98 (Ar-C),151.55 (Ar-C), 147.33 (Ar-C), 126.89 (Ar-C), 125.25 (Ar-CH), 122.93(Ar-C), 113.79 (Ar-C), 102.75 (Ar-CH), 31.74 (2CH2), 30.04 (CH2),29.90 (CH2), 29.39 (CH2), 29.21 (CH2), 28.87 (CH2), 27.44 (CH2),22.65 (2CH2), 14.94 (CH3), 14.10 (CH3), 14.09 (CH3). FT-IR (ATR,cm-1): 3254 (phenolic O-H), 3062 (aromatic CH), 2925-2854 (aliphaticC-H), 1667 (lactone C=O), 1600 (ester O-C=O), 1570-1429(aromatic C=C). Anal. Calc. for C22H32O3: C (76.70%), H (9.36%)Found: C (76.63%), H (9.30%).
 

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