Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
With phosphorus; bromine Behandeln des erhaltenen Reaktionsprodukts mit Aethylalkohol; |
Conditions | Yield |
---|---|
With bromine 1.) irrad., reflux, 2.) 2 h; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With pyridine In chloroform for 1h; |
1,1-diethoxy-2-methyl-2-propene
hydrogen bromide
ethyl 2-bromoisobutyrate
Conditions | Yield |
---|---|
UV-irradiation; |
Conditions | Yield |
---|---|
With iodine; zinc In 1,4-dioxane for 0.166667h; Reformatsky reaction; ultrasound irradiation; | 100% |
With magnesium; benzene | |
With zinc; benzene | |
With zinc |
2-azido-2-methylpropanoic acid ethyl ester
Conditions | Yield |
---|---|
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% |
ethyl 2-bromoisobutyrate
1,2-bis(o-hydroxyphenoxy)ethane
2-(2-{2-[2-(1-Carboxy-1-methyl-ethoxy)-phenoxy]-ethoxy}-phenoxy)-2-methyl-propionic acid
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide for 16h; steam bath; | 100% |
ethyl 2-bromoisobutyrate
acetophenone
ethyl 3-hydroxy-2,2-dimethyl-3-phenylbutyrate
Conditions | Yield |
---|---|
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 benzene | 7.1 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
1-(4-fluorobenzoyl)-4-hydroxy-4-(3-hydroxyphenyl)piperidine
ethyl 2-[3-[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoate
Conditions | Yield |
---|---|
With potassium carbonate at 100℃; for 14h; | 100% |
ethyl 2-bromoisobutyrate
4-cyanophenol
2-(4-cyanophenoxy)-2-methylpropionic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: 4-cyanophenol With potassium carbonate In acetonitrile for 1h; Heating / reflux; Stage #2: ethyl 2-bromoisobutyrate With potassium carbonate for 72h; Heating / reflux; | 100% |
Stage #1: 4-cyanophenol With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: ethyl 2-bromoisobutyrate In N,N-dimethyl-formamide at 20℃; for 16h; | 69% |
Stage #1: 4-cyanophenol With potassium carbonate In acetone at 20℃; for 0.5h; Stage #2: ethyl 2-bromoisobutyrate In acetone for 16h; Heating / reflux; | 46.9% |
ethyl 2-bromoisobutyrate
tert-Butyl N-hydroxycarbamate
N-Boc-2-aminooxy-2-methylpropionic acid ethyl ester
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol at 20℃; Heating / reflux; | 99% |
Stage #1: tert-Butyl N-hydroxycarbamate With potassium hydroxide In ethanol at 20℃; Stage #2: ethyl 2-bromoisobutyrate for 18h; Reflux; | 99% |
With potassium hydroxide In ethanol at 60℃; | 85% |
Stage #1: tert-Butyl N-hydroxycarbamate With potassium hydroxide In ethanol at 20℃; Stage #2: ethyl 2-bromoisobutyrate In ethanol for 15h; Reflux; | 74% |
ethyl 2-bromoisobutyrate
1-phenylpropylene oxide
3-Hydroxy-2,2,3-trimethyl-4-phenyl-butyric acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: ethyl 2-bromoisobutyrate With Bu6CrLi3 In tetrahydrofuran at -78℃; for 1h; Stage #2: 1-phenylpropylene oxide With ethylaluminum dichloride In tetrahydrofuran at -78℃; for 2h; | 99% |
ethyl 2-bromoisobutyrate
1-t-Butoxycarbonylpiperazine
4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)piperazine-1-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h; | 99% |
With potassium carbonate In acetonitrile for 48h; Reflux; | 64% |
With potassium carbonate In acetonitrile at 80℃; for 15h; Inert atmosphere; | 47% |
ethyl 2-bromoisobutyrate
4-trifluoromethylbenzenethiol
2-methyl-2-(4-trifluoromethyl-phenylsulfanyl)-propionic acid ethyl ester
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol for 18h; Heating / reflux; | 99% |
With potassium hydroxide In ethanol for 18h; Reflux; |
ethyl 2-bromoisobutyrate
4-ethyl-3-(methoxymethoxy)phenol
ethyl 2-[4-ethyl-3-(methoxymethoxy)phenoxy]-2-methylpropanoate
Conditions | Yield |
---|---|
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 80℃; | 99% |
ethyl 2-bromoisobutyrate
isoquinolin-7-ol
2-(isoquinolin-7-yloxy)-2-methyl-propionic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 95℃; for 18h; Inert atmosphere; | 99% |
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 95℃; for 18h; | 53% |
With potassium carbonate In N,N-dimethyl-formamide at 95℃; for 18h; | 53% |
ethyl 2-bromoisobutyrate
potassium thioacetate
2-acetylsulfanyl-2-methylpropionic acid ethyl ester
Conditions | Yield |
---|---|
In acetone for 2h; Reflux; | 99% |
In N,N-dimethyl-formamide at 20℃; for 2h; | 84% |
In N,N-dimethyl-formamide at 20℃; for 16h; | 73% |
ethyl 2-bromoisobutyrate
1,1-Diphenylethylene
3,3-dimethyl-5,5-diphenyltetrahydrofuran-2(3H)-one
Conditions | Yield |
---|---|
With lithium tetrafluoroborate; fac-tris[2-phenylpyridinato-C2,N]iridium(III) In water; acetonitrile at 20℃; for 24h; Mechanism; Inert atmosphere; Irradiation; regioselective reaction; | 99% |
With 10-phenyl-10H-phenothiazine; caesium carbonate In dimethyl sulfoxide at 20℃; for 24h; Inert atmosphere; Irradiation; | 88% |
Conditions | Yield |
---|---|
With iodine; zinc at 20℃; Reformatsky Reaction; Sonication; | 99% |
ethyl 2-bromoisobutyrate
non-1-en-3-yn-2-ylbenzene
4-methoxyphenylacetylen
Conditions | Yield |
---|---|
With copper(I) thiophene-2-carboxylate; C45H50N3O2P; caesium carbonate In diethyl ether at 20℃; for 24h; Schlenk technique; Inert atmosphere; enantioselective reaction; | 99% |
ethyl 2-bromoisobutyrate
1-phenylmethyl-4-piperidone
4-hydroxy-α,α-dimethyl-1-phenylmethyl-4-piperidineacetic acid ethyl ester
Conditions | Yield |
---|---|
With zinc In tetrahydrofuran at 70 - 80℃; for 2h; Inert atmosphere; | 98.3% |
Stage #1: ethyl 2-bromoisobutyrate With n-butyllithium In diethyl ether at -78℃; for 1h; Inert atmosphere; Stage #2: 1-phenylmethyl-4-piperidone In diethyl ether at -60℃; for 2h; | 74.3% |
Stage #1: ethyl 2-bromoisobutyrate With n-butyllithium In diethyl ether at -78℃; for 1h; Inert atmosphere; Stage #2: 1-phenylmethyl-4-piperidone In diethyl ether at -60℃; for 2h; | 74.3% |
ethyl 2-bromoisobutyrate
benzaldehyde
ethyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate
Conditions | Yield |
---|---|
With lithium; zinc(II) chloride In diethyl ether for 0.5h; other precursors of preparation of zinc; | 98% |
With indium; tetrabutylammomium bromide In tetrahydrofuran; N,N-dimethyl-formamide at 50℃; | 93% |
In tetrahydrofuran; N,N-dimethyl-formamide 1.) nickel cathode, sacrificial indium anode, tetrabutylammonium bromide as supporting electrolyte, 30 V, 50 deg C, 2.) 2 h; | 93% |
ethyl 2-bromoisobutyrate
N-hydroxyphthalimide
2-(1,3-dioxo-1,3-dihydroisoindol-2-yloxy)-2-methylpropionic acid ethyl ester
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 35℃; for 72h; | 98% |
With triethylamine In N,N-dimethyl-formamide at 20℃; for 24h; Alkylation; |
ethyl 2-bromoisobutyrate
(E)-N-benzylidenebenzenesulfonamide
Conditions | Yield |
---|---|
With iodine; zinc In 1,4-dioxane at 20℃; for 0.0833333h; Reformatsky reaction; sonication; | 98% |
ethyl 2-bromoisobutyrate
2-amino-benzenethiol
2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazine
Conditions | Yield |
---|---|
With N-methylcyclohexylamine; 1,8-diazabicyclo[5.4.0]undec-7-ene at 180℃; under 7757.22 Torr; for 4h; microwave irradiation; | 98% |
With 1-octyl-3-methyl-3H-imidazolium nitrate at 20℃; for 20h; Mechanism; Green chemistry; | 94% |
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 4h; | 87% |
With potassium fluoride on basic alumina for 60h; Milling; Sealed tube; Green chemistry; | 73% |
With sodium hydroxide |
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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