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[ CAS No. 2495-35-4 ] {[proInfo.proName]}

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Chemical Structure| 2495-35-4
Chemical Structure| 2495-35-4
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Wuyang Huang ; Kiho Cho ; Martina Stenzel , et al. DOI:

Abstract: The interfacial adhesions between inorganic short glass fibres and organic PEEK matrix play a crucial role in the mechanical properties of short glass fiber reinforced PEEK (SGFR-PEEK) bio-composites, while the inherent chemical inertness of PEEK imposes great challenges on the fibre-matrix interfacial modifications. In this experimental investigation, the effects of monomer/polymer selection, chemical concentration, UV-modification time on the thermal, mechanical properties and surface wettability of SGFR-PEEK composites were experimentally studied for the first time. The photo-polymerisation effectively modified the chemical structure, surface wettability of SGFR-PEEK composites and caused significant improvements on the tensile modulus (up to 16.35%) and flexural modulus (up to 11.63%) of SGFR-PEEK composites without noticable decrement on thermal properties, manifesting great potential and advantages for the developments of high-performance bio-composites.

Keywords: PEEK ; short S-Glass fibre ; UV-modification ; fibre-matrix interfacial adhesion ; mechanical properties ; surface wettability

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Product Details of [ 2495-35-4 ]

CAS No. :2495-35-4 MDL No. :MFCD00048147
Formula : C10H10O2 Boiling Point : -
Linear Structure Formula :CH2CHCO(OCH2C6H5) InChI Key :GCTPMLUUWLLESL-UHFFFAOYSA-N
M.W : 162.19 Pubchem ID :75617
Synonyms :

Calculated chemistry of [ 2495-35-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.1
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.64
TPSA : 26.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 2.55
Log Po/w (WLOGP) : 1.76
Log Po/w (MLOGP) : 2.2
Log Po/w (SILICOS-IT) : 2.37
Consensus Log Po/w : 2.23

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.56
Solubility : 0.449 mg/ml ; 0.00277 mol/l
Class : Soluble
Log S (Ali) : -2.75
Solubility : 0.289 mg/ml ; 0.00178 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.93
Solubility : 0.192 mg/ml ; 0.00118 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 2495-35-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P273-P280-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2495-35-4 ]

* 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 [ 2495-35-4 ]

[ 2495-35-4 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 186581-53-3 ]
  • [ 2495-35-4 ]
  • [ 2409-87-2 ]
  • [ 4336-20-3 ]
  • [ 62638-06-6 ]
  • 2
  • [ 2495-35-4 ]
  • [ 255735-88-7 ]
  • [ 851017-82-8 ]
  • 3
  • [ 7446-81-3 ]
  • [ 100-44-7 ]
  • [ 2495-35-4 ]
YieldReaction ConditionsOperation in experiment
85.0%Chromat. Aliquat 336; sodium iodide; In water; at 50℃; for 2.5h; In Example 8, benzyl acrylate was prepared by dissolving <strong>[7446-81-3]sodium acrylate</strong> (10 mmoles = 0.95 g) in water (101.3 g). The reaction flask was immersed in the water bath at 50°C and magnetically stirred. Then, a mixture consisting of benzyl chloride (50 mmoles = 6.29 g), Aliquat 336 (2 mmoles = 0.85 g), and sodium iodide (2 mmoles = 0.30 g) was added to the water phase. The reaction mixture was stirred magnetically at 50°C. The reaction mixture after 150 minutes consisted of benzyl acrylate in a 85.0percent theoretical yield based on <strong>[7446-81-3]sodium acrylate</strong>. Analysis was done with an external standard of Durene (tetramethylbenzene) on a Gas Chromatograph.
  • 4
  • [ 2495-35-4 ]
  • [ 621-63-6 ]
  • [ 1046492-63-0 ]
YieldReaction ConditionsOperation in experiment
44% With edetate disodium; In tetrahydrofuran; for 0.5h; A mixture of benzyl acrylate (60.4 g, 372 mmol) and glycolaldehyde diethyl acetal (10.16 g, 74.5 mmol) in dry THF (70 mL) was stirred vigorously and Triton B (1.7 mL, 5 molpercent) was added. The RM became dark brown gradually over about 0.5 minutes during which an exotherm was noted. The reaction mixture was concentrated in vacuo and purified directly over silica-gel (330 g, Companion) eluting from 0-100percent EtOAc/cyclohexane to give the title compound as acolourless oil.Yield 9.7 g (44percent)1H NMR (400 MHz, CDCI3) 57.34-7.29 (m, 5H), 5.13 (s, 2H), 4.58 (t, J = 5.2Hz, 1H), 3.80, (t, J = 6.4 Hz, 2H), 3.67 (m, 2H), 3.54 (m, 2H), 3.46 (d, J = 5.2 Hz, 2H), 2.64 (t, J = 6.4 Hz, 2H), 1.20 (t, J = 7 Hz, 6H).
  • 5
  • [ 695-53-4 ]
  • [ 2495-35-4 ]
  • [ 1076230-05-1 ]
YieldReaction ConditionsOperation in experiment
100% With pyridine; In water; at 20℃; for 22h;Heating / reflux; Example 81(3S,4S)-N-[3,5-bis(trifluoromethyl)benzyl]-1-[3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)propanoyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide(step 1)A solution of <strong>[695-53-4]5,5-dimethyloxazolidine-2,4-dione</strong> (1.0 g) and benzyl acrylate (5.18 g) in a mixture of pyridine (38.8 mL) and water (7.8 mL) was refluxed under heating for 19 hr, and the mixture was stirred at room temperature for 3 days. The reaction mixture was poured into water, and the resultant product was extracted with ethyl acetate. The organic layer was washed with aqueous citric acid solution and water and dried, and the solvent was evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (solvent gradient; 10% ethyl acetate/hexane) to give benzyl 3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)propanoate (2.84 g, 100%) as a colorless oil.1H-NMR (300 MHz, CDCl3):delta 1.51 (6H, s), 2.75 (2H, t, J=6.8 Hz), 3.85 (2H, d, J=6.8 Hz), 5.10 (2H, s), 7.31-7.39 (5H, m)
  • 6
  • [ 107-13-1 ]
  • [ 100-51-6 ]
  • [ 2495-35-4 ]
  • [ 13304-62-6 ]
YieldReaction ConditionsOperation in experiment
4%; 90% General procedure: TMSOTf (336 mg, 1.51 mmol) is added to a solution of the alcohol (0.755 mmol) in the respective nitrile (3 mL) and the mixture is stirred at rt for 65 h. H2O (25 mL) and brine (25 mL) are added, and the mixture is extracted with EtOAc (3 × 30 mL). The combined organic layers are dried (Na2SO4) and concentrated. The crude product is purified by flash column chromatography (silica gel).
  • 7
  • [ 2495-35-4 ]
  • [ 446065-11-8 ]
  • benzyl 3-cyclohexylpropanoate [ No CAS ]
  • 8
  • [ 2495-35-4 ]
  • [ 20101-92-2 ]
  • (E)-benzyl 3-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]acrylate [ No CAS ]
  • 9
  • [ 1455-20-5 ]
  • [ 2495-35-4 ]
  • [ 610-97-9 ]
  • C26H26O4S [ No CAS ]
  • 10
  • [ 24424-99-5 ]
  • [ 2495-35-4 ]
  • [ 383128-14-1 ]
  • benzyl (S)-3-(2-(4-bromophenyl)piperidin-1-yl)propanoate [ No CAS ]
  • benzyl (R)-3-(2-(4-bromophenyl)piperidin-1-yl)propanoate [ No CAS ]
  • tert-butyl (R)-2-(4-bromophenyl)piperidine-1-carboxylate [ No CAS ]
  • tert-butyl (S)-2-(4-bromophenyl)piperidine-1-carboxylate [ No CAS ]
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