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5272-33-3

Basic Information
CAS No.: 5272-33-3
Name: 2-METHYL-4-TRIMETHYLSILYL-3-BUTYN-2-OL
Article Data: 21
Molecular Structure:
Molecular Structure of 5272-33-3 (2-METHYL-4-TRIMETHYLSILYL-3-BUTYN-2-OL)
Formula: C8H16OSi
Molecular Weight: 156.3
Synonyms: 2-Methyl-4-trimethylsilyl-3-butyn-2-ol;
Density: 0.882 g/cm3
Melting Point: 42 °C
Boiling Point: 186.8 °C at 760 mmHg
Flash Point: 66.8 °C
Appearance: Solid.
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: 1.63810
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Specification

The 3-Butyn-2-ol,2-methyl-4-(trimethylsilyl)-, with the CAS registry number 5272-33-3, is also known as 2-Methyl-4-trimethylsilyl-3-butyn-2-ol. This chemical's molecular formula is C8H16OSi and molecular weight is 156.2975. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol.

Physical properties about this chemical are: (1)ACD/LogP: 2.60; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.446; (8)Molar Refractivity: 47.33 cm3; (9)Molar Volume: 177.1 cm3; (10)Surface Tension: 25.8 dyne/cm; (11)Density: 0.882 g/cm3; (12)Flash Point: 66.8 °C; (13)Enthalpy of Vaporization: 49.24 kJ/mol; (14)Boiling Point: 186.8 °C at 760 mmHg; (15)Vapour Pressure: 0.181 mmHg at 25 °C; (16)Melting Point: 42 °C.

Preparation of 3-Butyn-2-ol,2-methyl-4-(trimethylsilyl)-: this chemical can be prepared by Propan-2-one and Ethynyl-trimethyl-silane.

3-Butyn-2-ol,2-methyl-4-(trimethylsilyl)- can obtained from propan-2-one and ethynyl-trimethyl-silane.

This reaction needs reagent n-BuLi and solvents Tetrahydrofuran, Hexane at temperature of 0//-78 - 0 °C. The reaction time is 30 mins. The yield is 90%. This reaction needs two steps to accomplish.

Uses of 3-Butyn-2-ol,2-methyl-4-(trimethylsilyl)-: it is used to produce other chemicals. For example, it is used to produce 1-Trimethylsilyl-3-methyl-3-chlor-1-butin.

1-Trimethylsilyl-3-methyl-3-chlor-1-butin can obtained from 3-butyn-2-ol,2-methyl-4-(trimethylsilyl)-.

The reaction occurs with reagent conc. HCl and reaction time is 20 mins. The yield is 75.1%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C#C[Si](C)(C)C)(C)C
(2) InChI: InChI=1/C8H16OSi/c1-8(2,9)6-7-10(3,4)5/h9H,1-5H3
(3) InChIKey: UXOWFNWZWBCLDN-UHFFFAOYAT