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Chemical Structure| 66990-32-7 Chemical Structure| 66990-32-7

Structure of 66990-32-7

Chemical Structure| 66990-32-7

10,12-Pentacosadiynoic acid

CAS No.: 66990-32-7

4.5 *For Research Use Only !

Cat. No.: A212093 Purity: 98%

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Product Details of [ 66990-32-7 ]

CAS No. :66990-32-7
Formula : C25H42O2
M.W : 374.60
SMILES Code : CCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O
MDL No. :MFCD00041684
InChI Key :ZPUDRBWHCWYMQS-UHFFFAOYSA-N
Pubchem ID :538433

Safety of [ 66990-32-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 66990-32-7 ]

* 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 [ 66990-32-7 ]

[ 66990-32-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 926-39-6 ]
  • [ 66990-32-7 ]
  • potassium 2-pentacosa-10,12-diynamidoethyl sulfate [ No CAS ]
YieldReaction ConditionsOperation in experiment
10,12-pentacosadiynoic acid (PCDA, 1.0 g, 2.67 mmol) and 2-aminoethyl hydrogen sulfate (0.31 g, 2.22 mmol) were dissolved in N,N-dimethylformamide (20 mL), and then triethylamine (0.67 g, 6.66 mmol) and a 50percent solution of 1-propanephosphonic anhydride (2.12 mL, 3.33 mmol) in an ethyl acetate solvent were added thereto, followed by a reaction while stirring with a magnetic stirrer at room temperature for 18 hours. After the reaction, extraction was performed using water and dichloromethane, and then a diacetylene monomer, PCDSA-K, was synthesized by treating with potassium hydroxide.
  • 2
  • [ 926-39-6 ]
  • [ 66990-32-7 ]
  • sodium 2-pentacosa-10,12-diynamidoethyl sulfate [ No CAS ]
YieldReaction ConditionsOperation in experiment
10,12-pentacosadiynoic acid (PCDA, 1.0 g, 2.67 mmol) and 2-aminoethyl hydrogen sulfate (0.31 g, 2.22 mmol) were dissolved in N,N-dimethylformamide (20 mL), and then triethylamine (0.67 g, 6.66 mmol) and a 50percent solution of 1-1-propanephosphonic anhydride (2.12 mL, 3.33 mmol) in an ethyl acetate solvent were added thereto, followed by a reaction while stirring with a magnetic stirrer at room temperature for 18 hours. After the reaction, extraction was performed with water and dichloromethane, and then a diacetylene monomer, PCDSA-Na, was synthesized by treating with sodium bicarbonate. IR: (cm?1) vmax 723, 781, 955, 1024, 1079, 1221, 1460, 1557, 1641, 2918, 2952, 3295. 1H NMR: (300 MHz, DMSO-d6): delta 7.85 (t, 1H) 3.69 (t, J=5.7 Hz, 2H), 3.19 (q, J=5.7 Hz, 2H), 2.26 (t, J=6.9 Hz, 4H), 2.04 (t, J=7.2 Hz, 2H), 1.46-1.23 (m, 32H), 0.85 (t, J=5.7 Hz, 3H). 13C NMR: (75 MHz, DMSO-d6): delta 172.14, 77.96, 65.35, 65.31, 64.38, 35.30, 31.30, 29.00, 28.94, 28.86, 28.70, 28.38, 28.23, 28.16, 27.74, 27.68, 25.20, 22.10, 18.27, 13.96. FIG. 2A is a 1H NMR graph of sodium 2-pentacosa-10,12-diynamidoethyl sulfate (PCDSA-Na) synthesized by Synthesis Example 1.
 

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