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[ CAS No. 18051-88-2 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
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Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 18051-88-2
Chemical Structure| 18051-88-2
Structure of 18051-88-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 18051-88-2 ]

CAS No. :18051-88-2 MDL No. :MFCD00053194
Formula : C11H24Cl2Si Boiling Point : -
Linear Structure Formula :- InChI Key :UFVFNJHZBMHRCO-UHFFFAOYSA-N
M.W : 255.30 Pubchem ID :87434
Synonyms :

Calculated chemistry of [ 18051-88-2 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 9
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 72.45
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -2.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.8
Log Po/w (XLOGP3) : 7.24
Log Po/w (WLOGP) : 5.68
Log Po/w (MLOGP) : 4.76
Log Po/w (SILICOS-IT) : 3.75
Consensus Log Po/w : 5.05

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -5.39
Solubility : 0.00104 mg/ml ; 0.00000407 mol/l
Class : Moderately soluble
Log S (Ali) : -7.06
Solubility : 0.000022 mg/ml ; 0.0000000863 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.64
Solubility : 0.000588 mg/ml ; 0.0000023 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.65

Safety of [ 18051-88-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P390-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:2987
Hazard Statements:H290-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 18051-88-2 ]

* 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 [ 18051-88-2 ]

[ 18051-88-2 ] Synthesis Path-Downstream   1~17

  • 2
  • [ 75-54-7 ]
  • [ 872-05-9 ]
  • [ 18051-88-2 ]
YieldReaction ConditionsOperation in experiment
97.8% Stage #1: 1-Decene With diethylenetriaminepentaacetic acid (DTPA)-functionalized silica supported Pt at 60℃; for 0.5h; Stage #2: Dichloromethylsilane at 60℃; for 4h;
With dibenzoyl peroxide
With dicyclohexyl peroxydicarbonate
  • 7
  • [ 18051-88-2 ]
  • [ 109528-85-0 ]
YieldReaction ConditionsOperation in experiment
With lithium aluminium tetrahydride In diethyl ether Heating;
YieldReaction ConditionsOperation in experiment
1-Decen, /BRN= 71194/;
Erhitzen von Methyl-dichlor-silan, Decen-(1) unter Stickstoff im Autoklaven auf 130-140gradC in Ggw. von Eisenpentacarbonyl - daneben ueberwiegend Methyl-<decen-(1)-yl>-dichlor-silan;
  • 9
  • [ 18051-88-2 ]
  • poly(methyl-n-decylsilane), Mw = 1.9E5, Mn = 2.8E4; monomer(s): methyl-n-decyldichlorosilane [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium In toluene at 110℃;
  • 10
  • [ 18051-88-2 ]
  • bis(trimethoxysilyloxy)(decyl)(methyl)silane [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: water; aniline / tetrahydrofuran; diethyl ether / 1 h 2.1: SiCl4 / hexane; tetrahydrofuran / 20 °C 2.2: pyridine / hexane
  • 11
  • [ 18051-88-2 ]
  • [ 18769-78-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / Heating 2: 5percent Pt/C / octane
  • 12
  • [ 18051-88-2 ]
  • [ 83094-48-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / Heating 2: 5percent Pt/C / octane
  • 13
  • [ 18051-88-2 ]
  • [ 536-74-3 ]
  • [ 1172585-94-2 ]
YieldReaction ConditionsOperation in experiment
82% Stage #1: phenylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h; Stage #2: dichloro(decyl)(methyl)silane at 20℃;
  • 14
  • [ 17789-14-9 ]
  • [ 18051-88-2 ]
  • C29H42O4Si [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 3-(1,3-dioxolan-2-yl)-phenylbromide With n-butyllithium In tetrahydrofuran; hexane at -78 - 60℃; for 1.5h; Inert atmosphere; Stage #2: dichloro(decyl)(methyl)silane In tetrahydrofuran; hexane at 20℃; Inert atmosphere;
  • 15
  • [ 18051-88-2 ]
  • [ 1160506-32-0 ]
  • C71H62Si [ No CAS ]
YieldReaction ConditionsOperation in experiment
66% Stage #1: 9-(4-bromophenyl)-10-(naphthalen-1-yl)anthracene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: dichloro(decyl)(methyl)silane In tetrahydrofuran; hexane at -78 - 20℃; for 3h; 3 Preparation Example 3 Synthesis of Formula 1-3 To a 250 mL round flask was added compound B(10 mmol) and tetrahydrofuran And the mixture was stirred.The compound was sufficiently dissolved and then cooled to -78 ° C.Butyllithium 2.5M (4 ml, 10 mmol) in hexane solution,And the mixture was stirred for 30 minutes.1.28 g (5 mmol) of dichloro (decyl) (methyl) silane,And the mixture was stirred for 1 hour. After warming to room temperature and stirring for two hours, ammonium chloride Add an aqueous solution and stir for 5 minutes.After extraction with ethyl acetate in a separatory funnel, The solvent was removed. Through column chromatography, 1-3 6.2 g (Yield: 66%) was obtained.
  • 16
  • [ 18051-88-2 ]
  • (4-methoxybenzyloxy)dimethyl(n-decyl)silane [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bis(η3-allyl-μ-chloropalladium(II)); DavePhos / 1,4-dioxane; hexane / 18 h / 120 °C 2: dmap; triethylamine / 1 h / 20 °C
  • 17
  • [ 18051-88-2 ]
  • [ 1184-58-3 ]
  • [ 38051-57-9 ]
YieldReaction ConditionsOperation in experiment
97 %Spectr. With bis(η3-allyl-μ-chloropalladium(II)); DavePhos In 1,4-dioxane; hexane at 120℃; for 18h;
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