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23426-63-3

23426-63-3 Structure

23426-63-3 Structure
IdentificationMore
[Name]

Methyl 2-bromo-2-methylpropionate
[CAS]

23426-63-3
[Synonyms]

2-BROMO-2-METHYLPROPIONIC ACID METHYL ESTER
2-BROMOISOBUTYRIC ACID METHYL ESTER
alpha-Bromoisobutyric acid methyl ester
METHYL 2-BROMO-2-METHYLPROPIONATE
METHYL 2-BROMOISOBUTYRATE
METHYL-2-BROMO-ISOBUTYRIC ACID
methyl a-bromobutyrate
METHYL A-BROMOISOBUTYRATE
METHYL ALPHA-BROMOISOBUTYRATE
Methyl Alpha-Bromobutyrate
2-Bromo-2-methylpropanoic acid methyl ester
2-Methyl-2-bromopropionic acid methyl ester
α-Bromoisobutyric acid methyl ester
[EINECS(EC#)]

245-657-6
[Molecular Formula]

C5H9BrO2
[MDL Number]

MFCD00017854
[Molecular Weight]

181.03
[MOL File]

23426-63-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

52 °C(Press: 19 Torr)
[density ]

1.399 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.451
[Fp ]

49 °C
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[BRN ]

1209484
[InChI]

InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3
[InChIKey]

PQUSVJVVRXWKDG-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C(Br)(C)C
[CAS DataBase Reference]

23426-63-3(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

Bromoisobutyric acid (4.17 g, 25 mmol) was dissolved in a solution of concentrated sulfuric acid (0.75 mL) and methanol (50 mL) and stirred under reflux for 2 h. The solution was then cooled to room temperature and concentrated under vacuum. The residue was dissolved in diethyl ether and washed with 10% aqueous sodium bicarbonate, washed with brine, dried under magnesium sulfate, and concentrated again under vacuum. A colorless oil was obtained (4.2 g, 23 mmol, 93% yield) 1H NMR (300 MHz, CDCl3) δ(ppm): 3.78 (s, 3H), 1.93 (s, 6H) 
	Methyl 2-bromo-2-methylpropionate
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2929 6.1/PG 2
[WGK Germany ]

3
[F ]

19
[HazardClass ]

3
[HS Code ]

29159000
Hazard InformationBack Directory
[Uses]

Atom Transfer Radical Polymerization (ATRP) initiator that will generate a polymer with a methyl end group
[Application]

Methyl 2-bromo-2-methylpropionate can be used as a free radical initiator to participate in polymerization reactions. 
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 43, p. 3684, 1978 DOI: 10.1021/jo00413a009
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-bromo-2-methylpropionate(23426-63-3)MS
Methyl 2-bromo-2-methylpropionate(23426-63-3)1HNMR
Methyl 2-bromo-2-methylpropionate(23426-63-3)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

23426-63-3(sigmaaldrich)
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