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[ CAS No. 38103-06-9 ] {[proInfo.proName]}

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Chemical Structure| 38103-06-9
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Product Citations

Chazot, Cecile A. C. ; Thrasher, Carl J. ; Peraire-Bueno, Alexander , et al. DOI:

Abstract: Polyetherimides (PEI) are high-performance thermoplastic polymers featuring a high dielec. constant and excellent thermal stability. In particular, PEI thin films are of increasing interest for use in solid-state capacitors and membranes, yet the cost and thickness are limited by conventional synthesis and thermal drawing techniques. Here, a method of synthesizing ultrathin PEI films and coatings is introduced based on interfacial polymerization (IP) of poly(amic acid), followed by thermal imidization. Control of transport, reaction, and precipitation kinetics enables tailoring of PEI film morphol. from a nanometer-scale smooth film to a porous micrometer-scale layer of polymer microparticles. At short reaction times (≈1 min) freestanding films are formed with ≈1μm thickness, which to our knowledge surpass com. state-of-the-art films (3-5μm min. thickness) made by thermal drawing. PEI films synthesized via the IP route have thermal and optical properties on par with conventional PEI. The use of the final PEI is demonstrated in structurally colored films, dielec. layers in capacitors, and show that the IP route can form nanometer-scale coatings on carbon nanotubes. The rapid film formation rate and fine property control are attractive for scale-up, and established methods for roll-to-roll processing can be applied in future work.

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Product Details of [ 38103-06-9 ]

CAS No. :38103-06-9 MDL No. :MFCD00319167
Formula : C31H20O8 Boiling Point : -
Linear Structure Formula :- InChI Key :MQAHXEQUBNDFGI-UHFFFAOYSA-N
M.W : 520.49 Pubchem ID :94483
Synonyms :

Calculated chemistry of [ 38103-06-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 39
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.1
Num. rotatable bonds : 6
Num. H-bond acceptors : 8.0
Num. H-bond donors : 0.0
Molar Refractivity : 137.92
TPSA : 105.2 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.54
Log Po/w (XLOGP3) : 6.52
Log Po/w (WLOGP) : 6.22
Log Po/w (MLOGP) : 4.9
Log Po/w (SILICOS-IT) : 6.27
Consensus Log Po/w : 5.49

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -7.23
Solubility : 0.0000304 mg/ml ; 0.0000000583 mol/l
Class : Poorly soluble
Log S (Ali) : -8.53
Solubility : 0.00000155 mg/ml ; 0.000000003 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.19
Solubility : 0.0000000338 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.42

Safety of [ 38103-06-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 38103-06-9 ]

* 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.

  • Upstream synthesis route of [ 38103-06-9 ]
  • Downstream synthetic route of [ 38103-06-9 ]

[ 38103-06-9 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 80-05-7 ]
  • [ 118-45-6 ]
  • [ 38103-06-9 ]
YieldReaction ConditionsOperation in experiment
85%
Stage #1: With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water at 85 - 172℃; for 15 h;
Stage #2: at 130 - 145℃; for 5 h;
79 g (0.63 mol) of a 32percent by weight aqueous sodium hydroxide solution and 62.4 g (0.3 mol) of bisphenol A were charged into the reactor.Stir and dissolve,The temperature rises to 85 ° C and the solution is transparent.Next, 510 g of a trimethylbenzene solvent and 4.2 g of a benzyltriethylammonium chloride catalyst were added.Warming and refluxing,The temperature rose to 172 ° C,Stirring reaction for 15 hours,Then cool down to 130 ° C,108 g (0.6 mol) of 4-chlorophthalic anhydride and 4.86 g of benzyltriethylammonium chloride catalyst were added.Heating from 140 ° C to 145 ° C,Reflow reaction for 5 hours,Then filter hot,Pumping the filtrate into the crystallization kettle,The filtrate is cooled to room temperature.Crystallized for 12 hours,filter,The precipitate is washed with ion-free water,Filtration, precipitation was obtained and washed with 250 g of ethanol.Stirring for 2 hours,filter,Get wet material 125g,After drying, 120 g of bisphenol A diether dianhydride product (yield 85percent),The product is white powder,
Reference: [1] Patent: CN108148029, 2018, A, . Location in patent: Paragraph 0011; 0012; 0014
  • 2
  • [ 319-03-9 ]
  • [ 2444-90-8 ]
  • [ 38103-06-9 ]
YieldReaction ConditionsOperation in experiment
90% at 180℃; for 0.25 h; A dry 100 mL flask was charged with 1.69 g (7.3 mmol) of the disodium salt of biphenol, 2.44 g, (146 mmol) of 4-fluorophthalic anhydride, 2 mL (14 mmol) of hexaethylguanidinium chloride as a 15 weight percent solution in o-dichlorobenzene, and 44 g of dry o-dichlorobenzene. The flask was immersed in an oil bath maintained at 180° C. and the mixture was stirred magnetically. After 15 minutes, the reaction mixture was filtered hot to remove the sodium fluoride by-product. The filtrate was allowed to cool to room temperature and the product dianhydride crystallized from the solvent as a cream colored solid which was isolated by filtration (3.1 g, 90percent yield).
82% at 175℃; for 1 h; A dry 25 mL flask was charged with 403 mg (1.482 mmol) of the disodium salt of bisphenol A, 500 mg (3.012 mmol) of 4-fluorophthalic anhydride, 46 mg (0.148 mmol) of 4-(N,N-dibutylamino)-N-neopentylpyridinium chloride, 8.5 g (10percent solids) of dry o-dichlorobenzene and 55 mg of o-terphenyl (internal standard). The flask was immersed in an oil bath maintained at 180° C. and the mixture was stirred magnetically. The temperature within the reaction flask was about 175° C. Samples (0.1 mL) were withdrawn periodically dissolved in 6 mL of acetic acid and approximately. 0.5 mL of methylamine (40percent aqueous soln.) and heated at 125-130° C. for 1.5 hours. These samples were analyzed for the bis N-methyl imide of bisphenol A dianhydride by liquid chromatography. By following the diether dianhydride formation in this manner it was determined that the yield of product bisphenol A dianhydride (BPADA) had reached 82percent after one hour.
Reference: [1] Patent: US2006/205958, 2006, A1, . Location in patent: Page/Page column 6
[2] Patent: US2006/205958, 2006, A1, . Location in patent: Page/Page column 5; 6
  • 3
  • [ 118-45-6 ]
  • [ 2444-90-8 ]
  • [ 38103-06-9 ]
YieldReaction ConditionsOperation in experiment
25% at 180℃; for 5 h; A dry 100 mL flask was charged with 2.0 g (7.3 mmol) of the disodium salt of bisphenol A, 2.67 g (14.6 mmol) of 4-chlorophthalic anhydride, 4 mL (14 mmol) of hexaethylguanidinium chloride as a 15 weight percent solution in o-dichlorobenzene, 48 g of dry o-dichlorobenzene, and 100 mg of o-terphenyl (internal standard). The flask was immersed in an oil bath maintained at 180° C. and the mixture was stirred magnetically. The reaction was followed as in Example 1. The yield of biphenol dianhydride had reached 25percent after 5 hours.
Reference: [1] Patent: US2006/205958, 2006, A1, . Location in patent: Page/Page column 6
  • 4
  • [ 38103-05-8 ]
  • [ 38103-06-9 ]
Reference: [1] Molecular Crystals and Liquid Crystals, 2004, vol. 418, p. 11/[739]-19/[747]
[2] Macromolecules, 2006, vol. 39, # 22, p. 7534 - 7548
  • 5
  • [ 80-05-7 ]
  • [ 38103-06-9 ]
Reference: [1] Macromolecules, 2006, vol. 39, # 22, p. 7534 - 7548
[2] Molecular Crystals and Liquid Crystals, 2004, vol. 418, p. 11/[739]-19/[747]
  • 6
  • [ 31643-49-9 ]
  • [ 38103-06-9 ]
Reference: [1] Macromolecules, 2006, vol. 39, # 22, p. 7534 - 7548
[2] Molecular Crystals and Liquid Crystals, 2004, vol. 418, p. 11/[739]-19/[747]
  • 7
  • [ 38791-67-2 ]
  • [ 38103-06-9 ]
Reference: [1] Macromolecules, 2006, vol. 39, # 22, p. 7534 - 7548
[2] Molecular Crystals and Liquid Crystals, 2004, vol. 418, p. 11/[739]-19/[747]
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