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Ethyl 2-bromoisobutyrate

  • Name Ethyl 2-bromoisobutyrate
  • EINECS209-980-6
  • CAS No. 600-00-0
  • Density1.329 g/cm3
  • PSA26.30000
  • LogP1.72300
  • SolubilitySoluble in alcohol, ether, insoluble in water
  • Melting PointN/A
  • FormulaC6H11BrO2
  • Boiling Point164 °C at 760 mmHg
  • Molecular Weight195.056
  • Flash Point60 °C
  • Transport InformationUN 1992 3/PG 3
  • Appearancecolourless to slightly yellow liquid
  • Safety26-39-37/39
  • Risk Codes22-41-36/37/38
  • Molecular Structure
    Molecular Structure of 600-00-0 (Ethyl 2-bromoisobutyrate)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data15

Ethyl 2-bromoisobutyrate Synthetic route

64-17-5

ethanol

2052-01-9

2-bromo-2-methylpropionic acid

ethyl 2-bromoisobutyrate

ethyl 2-bromoisobutyrate

Conditions
ConditionsYield
Stage #1: 2-bromo-2-methylpropionic acid With zinc for 0.5h;
Stage #2: With hydrogen bromide for 0.5h;
Stage #3: ethanol at 95℃;
92.53%
With sulfuric acid; water
With hydrogenchloride
Stage #1: 2-bromo-2-methylpropionic acid With 1,1'-carbonyldiimidazole In dichloromethane for 0.25h; Heating;
Stage #2: ethanol In dichloromethane for 2h; Heating; Further stages.;
UV-irradiation;
64-17-5

ethanol

20469-89-0

2-bromo-2-methylpropionyl chloride

600-00-0

ethyl 2-bromoisobutyrate

79-31-2

isobutyric Acid

600-00-0

ethyl 2-bromoisobutyrate

Conditions
ConditionsYield
With phosphorus; bromine Behandeln des erhaltenen Reaktionsprodukts mit Aethylalkohol;
97-62-1

Ethyl isobutyrate

600-00-0

ethyl 2-bromoisobutyrate

Conditions
ConditionsYield
With bromine 1.) irrad., reflux, 2.) 2 h; Yield given. Multistep reaction;
64-17-5

ethanol

20769-85-1

2-bromoisobutyric acid bromide

600-00-0

ethyl 2-bromoisobutyrate

Conditions
ConditionsYield
With pyridine In chloroform for 1h;
23553-27-7

1,1-diethoxy-2-methyl-2-propene

10035-10-6, 12258-64-9

hydrogen bromide

600-00-0

ethyl 2-bromoisobutyrate

Conditions
ConditionsYield
UV-irradiation;

Conditions
ConditionsYield
With iodine; zinc In 1,4-dioxane for 0.166667h; Reformatsky reaction; ultrasound irradiation;100%
With magnesium; benzene
With zinc; benzene
With zinc
ethyl 2-bromoisobutyrate

ethyl 2-bromoisobutyrate

98140-95-5

2-azido-2-methylpropanoic acid ethyl ester

Conditions
ConditionsYield
With sodium azide In acetonitrile at 80℃; for 48h;100%
With sodium azide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water at 20℃; for 200h; Inert atmosphere;81%
With sodium azide In N,N-dimethyl-formamide at 20℃; for 5h;78%
600-00-0

ethyl 2-bromoisobutyrate

20115-81-5

1,2-bis(o-hydroxyphenoxy)ethane

97546-27-5

2-(2-{2-[2-(1-Carboxy-1-methyl-ethoxy)-phenoxy]-ethoxy}-phenoxy)-2-methyl-propionic acid

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide for 16h; steam bath;100%
600-00-0

ethyl 2-bromoisobutyrate

98-86-2

acetophenone

33026-24-3

ethyl 3-hydroxy-2,2-dimethyl-3-phenylbutyrate

Conditions
ConditionsYield
With iodine; zinc In 1,4-dioxane for 0.0833333h; Reformatsky reaction; ultrasound irradiation;100%
With tetrabutylammonium tetrafluoroborate; zinc dibromide; zinc In acetonitrile Ambient temperature;73%
With amalgamated magnesium
With zinc In benzene7.1 g
With hydrogenchloride; ammonium chloride; calcium chloride; zinc; dibenzoyl peroxide 1.) H2O, room temperature, 15 min, 2.) 5 min; Yield given. Multistep reaction;

Ethyl 2-bromoisobutyrate Specification

The IUPAC name of Ethyl 2-bromoisobutyrate is ethyl 2-bromo-2-methylpropanoate . With the CAS registry number 600-00-0, it is also named as 2-Bromo-2-methylpropanoic acid, ethyl ester ; Ethyl 2-bromo-2-methylpropanoate ; Propionic acid, 2-bromo-2-methyl-, ethyl ester ; alpha-Bromoisobutyric acid, ethyl ester ; 6-Hydroxydopamine bromide . This product can be obtained by the reaction of isobutyric acid and bromine . And then using ethanol esterification resultant.

The Ethyl 2-bromoisobutyrate  is colourless to slightly yellow liquid which is soluble in alcohol, ether and insoluble in water. It is toxic. It is flammable by fire. It will produce toxic bromide gas when heating. So the storage environment should be ventilate, low-temperature and dry. Keep Ethyl 2-bromoisobutyrate separate from raw materials of food, oxidant and acid. It is a important pharmaceutical intermediate that can be used in the preparation of lipid-lowering drugs and treatment for atherosclerosis, thrombosis drug. 

This product is harmful if swallowed. It is irritating to eyes, respiratory system and skin, especially has serious damage to the eyes. 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 gloves and eye/face protection.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.07 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.07 ; (4)ACD/LogD (pH 7.4): 2.07 ; (5)ACD/BCF (pH 5.5): 21.9 ; (6)ACD/BCF (pH 7.4): 21.9 ; (7)ACD/KOC (pH 5.5): 317.08 ; (8)ACD/KOC (pH 7.4): 317.08 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.457 ; (13)Molar Refractivity: 39.31 cm3 ; (14)Molar Volume: 144.2 cm3 ; (15)Polarizability: 15.58×10-24 cm3 ; (16)Surface Tension: 31.8 dyne/cm ; (17)Enthalpy of Vaporization: 40.05 kJ/mol ; (18)Vapour Pressure: 2.01 mmHg at 25°C ; (19)Rotatable Bond Count: 3 ; (20)Exact Mass: 193.994242 ; (21)MonoIsotopic Mass: 193.994242 ; (22)Topological Polar Surface Area: 26.3 ; (23)Heavy Atom Count: 9.

People can use the following data to convert to the molecule structure. SMILES: BrC(C(=O)OCC)(C)C; InChI: InChI=1/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3. Ethyl 2-bromoisobutyrate has many wuppliers, such as Changzhou Chemical Research Institute Co., Ltd., Dob Integrated Corporation Limited, Fuhong Chemical Ltd., Jiangsu Dacheng Pharmaceutical and Chemical Co., Ltd. and Jintan Bailing Chemical Reagent Factory.

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