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CAS No.: | 1458-98-6 |
---|---|
Name: | 3-Bromo-2-methylpropene |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C4H7Br |
Molecular Weight: | 135.004 |
Synonyms: | Propene,3-bromo-2-methyl- (6CI,7CI,8CI);1-Bromo-2-methyl-2-propene;2-(Bromomethyl)propene;2-Methyl-2-propenyl bromide;2-Methyl-3-bromo-1-propene;2-Methyl-3-bromopropene;2-Methylallyl bromide;3-Bromo-2-methyl-1-propene;3-Bromo-2-methyl-1-propylene;Methallyl bromide;Methylallyl bromide;NSC 617310;b-Methallyl bromide; |
EINECS: | 200-003-9 |
Density: | 1.315 g/cm3 |
Melting Point: | -115.07°C (estimate) |
Boiling Point: | 96.3 °C at 760 mmHg |
Flash Point: | 8.4 °C |
Appearance: | clear colorless to yellow liquid |
Hazard Symbols: | F,C,N |
Risk Codes: | 11-20/22-34-51/53 |
Safety: | 9-16-26-29-36/37/39-45-61 |
Transport Information: | UN 2924 3/PG 2 |
PSA: | 0.00000 |
LogP: | 1.95740 |
Conditions | Yield |
---|---|
With sodium bromide | 85% |
With lithium bromide In acetone for 12h; Finkelstein reaction; Inert atmosphere; | 21% |
With acetone; sodium bromide | |
With methanol; sodium bromide | |
With sodium bromide |
Conditions | Yield |
---|---|
With phosphorus tribromide In pyridine 1.) -20 deg C, 4 h; 2.) room temperature, 2 h; | 55% |
With phosphorus tribromide at 30℃; for 2h; | 55% |
With phosphorus tribromide at 30℃; Inert atmosphere; | 50% |
A
2-methyl-3-bromo-1-propene
Conditions | Yield |
---|---|
In diethyl ether 2 h at 25°C under Ar or N2; chromy on Al2O3 with pentane, distn.; | A n/a B 55% |
In diethyl ether 2 h at 25°C under Ar or N2; chromy on Al2O3 with pentane, distn.; | A n/a B 55% |
Conditions | Yield |
---|---|
With copper at 390 - 400℃; |
Conditions | Yield |
---|---|
With methanol; amalgamated zinc |
(E)-but-2-enol
A
2-methyl-3-bromo-1-propene
B
(Z)-crotyl bromide
C
(E)-1-Bromo-2-butene
Conditions | Yield |
---|---|
With phosphorus tribromide In dichloromethane at 0 - 5℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
isobutene
A
2-methyl-3-bromo-1-propene
B
N-(2-bromo-2-methyl-1-propyl)succinimide
Conditions | Yield |
---|---|
With N-Bromosuccinimide In dichloromethane at 15℃; Irradiation; competition reaction with 3,3-dimethyl-1-butene and methylene chloride; |
methanol
3-Chloro-2-methylpropene
A
2-methyl-3-bromo-1-propene
B
1,2-dimethoxy-2-methylpropane
C
methallyl methyl ether
D
isobutyraldehyde dimethyl acetal
2-methyl-3-bromo-1-propene
Conditions | Yield |
---|---|
With pyridine; phosphorus tribromide |
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The 3-Bromo-2-methylpropene, with the CAS registry number 1458-98-6, is also known as Methylallyl bromide. It belongs to the product categories of Aliphatics; Halides. Its EINECS number is 207-444-6. This chemical's molecular formula is C4H7Br and molecular weight is 135.00. What's more, its systematic name is 3-bromo-2-methylprop-1-ene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light.
Physical properties of 3-Bromo-2-methylpropene are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.455; (7)Molar Refractivity: 27.88 cm3; (8)Molar Volume: 102.6 cm3; (9)Polarizability: 11.05×10-24cm3; (10)Surface Tension: 24.6 dyne/cm; (11)Density: 1.315 g/cm3; (12)Flash Point: 8.4 °C; (13)Enthalpy of Vaporization: 32.19 kJ/mol; (14)Boiling Point: 96.3 °C at 760 mmHg; (15)Vapour Pressure: 50.1 mmHg at 25°C.
Preparation of 3-Bromo-2-methylpropene: this chemical can be prepared by 2-methyl-prop-2-en-1-ol at the temperature of 30 °C. This reaction will need reagent PBr3 with the reaction time of 2 hours. The yield is about 55%.
Uses of 3-Bromo-2-methylpropene: it can be used to produce 4-butyl-2-methyl-oct-1-en-4-ol at the temperature of 50 °C. It will need reagent Mn and solvent ethyl acetate. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation and if swallowed, and it can cause burns. The substance is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You should keep the container in a well-ventilated place and not empty it into drains. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). You must avoid releasing to the environment just refering to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=C)\C
(2)Std. InChI: InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
(3)Std. InChIKey: USEGQJLHQSTGHW-UHFFFAOYSA-N