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1-Methoxy-2-methyl-1-(trimethylsiloxy)propene

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Name

1-Methoxy-2-methyl-1-(trimethylsiloxy)propene

EINECS -0
CAS No. 31469-15-5 Density 0.858 g/cm3
PSA 18.46000 LogP 2.73570
Solubility Hydrolyzes in water. Melting Point N/A
Formula C8H18O2Si Boiling Point 137.4 °C at 760mmHg
Molecular Weight 174.315 Flash Point 14.4 °C
Transport Information UN 3271 Appearance N/A
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 31469-15-5 (DIMETHYLKETENE METHYL TRIMETHYLSILYL ACETAL) Hazard Symbols IrritantXi
Synonyms

Silane,[(1-methoxy-2-methyl-1-propenyl)oxy]trimethyl- (9CI);Silane,[(1-methoxy-2-methylpropenyl)oxy]trimethyl- (8CI);1-Methoxy-1-(trimethylsiloxy)-2-methyl-1-propene;1-Methoxy-1-(trimethylsiloxy)-2-methylpropene;1-Methoxy-1-(trimethylsilyloxy)-2-methyl-1-propene;1-Methoxy-1-(trimethylsilyloxy)-2-methylpropene;1-Methoxy-2,2-dimethyl-1-(trimethylsiloxy)ethene;1-Methoxy-2-methyl-1-(trimethylsiloxy)-1-propene;1-Methoxy-2-methyl-1-(trimethylsiloxy)propene;1-Methoxy-2-methyl-1-(trimethylsilyloxy)propene;1-Methoxy-2-methyl-1-trimethylsilyloxy-1-propene;Dimethylketene methyltrimethylsilyl acetal;Methyl trimethylsilyl dimethylketene acetal;O-Methyl-O-(trimethylsilyl)dimethylketene acetal;[(1-Methoxy-2-methyl-1-propenyl)oxy]trimethylsilane;[(1-Methoxy-2-methylpropenyl)oxy]trimethylsilane;

Article Data 30

1-Methoxy-2-methyl-1-(trimethylsiloxy)propene Specification

The IUPAC name of this chemical is (1-methoxy-2-methylprop-1-enoxy)-trimethylsilane. With the CAS registry number 31469-15-5, it is also named as 1-Propene, 1-methoxy-2-methyl-1-(trimethylsilyloxy)-. The product's categories are Monoalkoxysilanes; Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Si-O Compounds; Synthetic Organic Chemistry; Vinylsilanes, Allylsilanes. It is colorless liquid which is sensitive to moisture. Additionally, 1-Methoxy-2-methyl-1-(trimethylsiloxy)propene should be sealed in the container and stored at the temperature of 2-8 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 178.31; (6)ACD/BCF (pH 7.4): 178.31; (7)ACD/KOC (pH 5.5): 1422.3; (8)ACD/KOC (pH 7.4): 1422.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.418; (13)Molar Refractivity: 51.06 cm3; (14)Molar Volume: 202.2 cm3; (15)Polarizability: 20.24×10-24 cm3; (16)Surface Tension: 20.1 dyne/cm; (17)Enthalpy of Vaporization: 35.93 kJ/mol; (18)Vapour Pressure: 8.76 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 174.107606; (21)MonoIsotopic Mass: 174.107606; (22)Topological Polar Surface Area: 18.5; (23)Heavy Atom Count: 11; (24)Complexity: 152.

Preparation of 1-Methoxy-2-methyl-1-(trimethylsiloxy)propene: It can be obtained by chloro-trimethyl-silane and isobutyric acid methyl ester. This reaction needs reagent Li-N(iPr)2 and solvent tetrahydrofuran at temperature of -78 °C.

Uses of 1-Methoxy-2-methyl-1-(trimethylsiloxy)propene: It can react with 2-methylsulfanyl-butyraldehyde to get 2,2-Dimethyl-3-hydroxy-4-(methylthio)hexanoic acid methyl ester. This reaction needs reagent BF3*Et2O and solvent CH2Cl2 at temperature of -78 °C. The reaction time is 4.0 hours. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O(\C(O[Si](C)(C)C)=C(/C)C)C
2. InChI:InChI=1/C8H18O2Si/c1-7(2)8(9-3)10-11(4,5)6/h1-6H3

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