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[ CAS No. 919-30-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 919-30-2
Chemical Structure| 919-30-2
Structure of 919-30-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 919-30-2 ]

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Product Details of [ 919-30-2 ]

CAS No. :919-30-2 MDL No. :MFCD00008207
Formula : C9H23NO3Si Boiling Point : -
Linear Structure Formula :(CH3CH2O)3Si(CH2)3NH2 InChI Key :WYTZZXDRDKSJID-UHFFFAOYSA-N
M.W : 221.37 Pubchem ID :13521
Synonyms :
γ-Aminopropyltriethoxysilane

Calculated chemistry of [ 919-30-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 59.21
TPSA : 53.71 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.04
Log Po/w (XLOGP3) : 1.17
Log Po/w (WLOGP) : 1.38
Log Po/w (MLOGP) : -0.12
Log Po/w (SILICOS-IT) : -0.2
Consensus Log Po/w : 1.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.36
Solubility : 9.76 mg/ml ; 0.0441 mol/l
Class : Very soluble
Log S (Ali) : -1.89
Solubility : 2.83 mg/ml ; 0.0128 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.44
Solubility : 0.795 mg/ml ; 0.00359 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.27

Safety of [ 919-30-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P210-P261-P264-P270-P272-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P312-P333+P313-P362+P364-P370+P378-P403+P235-P405-P501 UN#:3267
Hazard Statements:H227-H302-H313-H314-H317 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 919-30-2 ]

* 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 [ 919-30-2 ]

[ 919-30-2 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 69907-67-1 ]
  • [ 919-30-2 ]
  • N-(3-triethoxysilylpropyl)-4-(N'-maleimidylmethyl)cyclohexanecarboxamide [ No CAS ]
  • 2
  • [ 919-30-2 ]
  • [ 119389-05-8 ]
  • 3-(4-phenylethynyl phthalimide)-propyl triethoxy silane [ No CAS ]
YieldReaction ConditionsOperation in experiment
98.9% at 20 - 220℃; for 11h;Inert atmosphere; Under the protection of nitrogen,3-Aminopropyltrimethoxysilane (purity 99percent) (0.02 mol, 3.58 g) was added to a three-necked flask.Then 4-phenylacetylene phthalic anhydride (0.02 mol, 4.96 g) was added.The reaction was stirred at room temperature for 6 h.The stirring rate is controlled at 500r/min.Then, the temperature of the reaction solution was adjusted to 220 ° C at a heating rate of 40 ° C / min.Continue to react for 5h,Finally stop stirring,Squeeze after cooling the sample,That is, the sample was 8.09 g, and the yield was 98.9percent.
464.1 g (85%) With pyridine; In toluene; EXAMPLE 2 Synthesis of gamma-[N-(4-phenylethynylphthalimido)]propyltriethoxysilane (APEIS-2) To a flame dried 3 necked 3 L round bottom flask equipped with nitrogen inlet, mechanical stirrer, and Dean-Stark trap was charged 1250 mL of toluene. gamma-Aminopropyltriethoxysilane (266.3 g, 1.2029 mol) was then added via a syringe under the toluene surface. Prior to use <strong>[119389-05-8]4-phenylethynylphthalic anhydride</strong> was recrystallized from toluene. 4-Phenylethynylphthalic anhydride (298.6 g, 1.2029 mol) was added to the stirred solution and washed in with an additional 250 mL of toluene. Approximately 4 mL of pyridine was subsequently added to the stirred solution. The stirred solution was heated at a mild reflux for 48 hrs under a nitrogen atmosphere. The solution was subsequently cooled to room temperature and the toluene removed under vacuum to afford 464.1 g (85percent) of a viscous brown gum. No melting point was observed as determined by differential scanning calorimetry at a heating rate of 10° C./min. By a Fisher Johns melting point apparatus a broad melt was observed from 65° C. to 115° C. Infrared (KBr, cm-1): 2212 (phenylethynyl); 1770, 1715 (imide); 1089 (Si-O-C). M+452 (molecular weight, 452 g/mol.)
  • 3
  • [ 14172-90-8 ]
  • [ 78-10-4 ]
  • [ 919-30-2 ]
  • (SiO2)(x)(O1.5SiCH2CH2CH2NH2Co(meso-tetraphenylporphyrinate))(y) [ No CAS ]
  • 4
  • [ 919-30-2 ]
  • [ 3027-21-2 ]
  • [ 2996-92-1 ]
  • poly(γ-aminopropyltriethoxysilane-co-phenylmethyldimethoxysilane-co-phenyltrimethoxysilane) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Aminofunctional Silicone Resins B1-B6 were prepared in the following manner. Phenyltrimethoxysilane and/or phenylmethyldimethoxysilane, catalyzed by trifluoromethanesulfonic acid (TFMSA), were hydrolyzed with deionized water, followed by distillative removal of by-product alcohol. Hexamethyldisiloxane (HMDS) and additional water were added and the mixture heated to 50-60° C. optionally followed by distillative removal of volatiles. gamma-Aminopropyltriethoxysilane (APTES) or gamma-aminopropyldiethoxymethylsilane (APDEMS) were added along with additional water, followed by distillative removal of alcohol. Toluene, additional water and optionally a catalytic amount of 1.0 N aqueous potassium hydroxide were added and water removed via azeotrope. If added the hydroxide was neutralized with 1.0 N aqueous HCl, and water again removed via azeotrope. The mixture was filtered and solvent removed. The amount of each ingredient is shown in Table 1 below. The final aminofunctional silicone resin composition, wt percent phenyl (Ph), wt percent R2SiO (D), wt percent Me2SiO (D(Me2)), mole percent amino (-CH2CH2CH2NH2), wt percent amine (-NH2), and -NH- (Amine H) equivalent weight are shown in Table 2 below.
  • 5
  • [ 919-30-2 ]
  • [ 17243-13-9 ]
  • [ 1211984-54-1 ]
  • 6
  • [ 919-30-2 ]
  • [ 34374-88-4 ]
  • [ 1449396-03-5 ]
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