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| CAS No.: | 600-00-0 |
|---|---|
| Name: | Ethyl 2-bromoisobutyrate |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11BrO2 |
| Molecular Weight: | 195.056 |
| Synonyms: | Isobutyricacid, a-bromo-, Et ester (4CI);Propionic acid, 2-bromo-2-methyl-, ethyl ester (6CI,7CI,8CI);2-Bromo-2-methylpropanoicacid ethyl ester;2-Bromo-2-methylpropionic acid ethyl ester;2-Bromoisobutanoic acid ethyl ester;2-Bromoisobutyric acid ethyl ester;Ethyl2-bromo-2-methylpropanoate;Ethyl 2-bromo-2-methylpropionate;Ethyl2-bromoisobutanoate;Ethyl 2-bromoisobutyrate;Ethyl a-bromo-a-methylpropionate;Ethyl a-bromoisobutyrate;NSC 402034;NSC 9465;a-Bromoisobutyric acid ethyl ester; |
| EINECS: | 209-980-6 |
| Density: | 1.329 g/cm3 |
| Boiling Point: | 164 °C at 760 mmHg |
| Flash Point: | 60 °C |
| Solubility: | Soluble in alcohol, ether, insoluble in water |
| Appearance: | colourless to slightly yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41-36/37/38 |
| Safety: | 26-39-37/39 |
| Transport Information: | UN 1992 3/PG 3 |
| PSA: | 26.30000 |
| LogP: | 1.72300 |
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| 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; |
- 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 | 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 |
- 98140-95-5
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% |
- 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 | Yield |
|---|---|
| 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 | 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; |
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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.