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Conditions | Yield |
---|---|
With hydrogen bromide In dichloromethane at 5 - 10℃; for 1.5h; Inert atmosphere; | 90.7% |
vinyl acetate
1-bromoethyl acetate
Conditions | Yield |
---|---|
With iron(III) oxide; tetrabromosilane In water at 12 - 20℃; for 0.5h; Temperature; | 89% |
With hydrogen bromide; toluene-4-sulfonic acid at 15 - 25℃; for 4h; Reagent/catalyst; Temperature; | 85.7% |
With hydrogen bromide at 35℃; for 1h; | 84% |
Conditions | Yield |
---|---|
With zinc(II) chloride at -5 - 5℃; for 5h; Temperature; | 80.06% |
Conditions | Yield |
---|---|
at 130℃; |
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide; copper dichloride In ethyl acetate at 8 - 30℃; for 1.5h; Temperature; Concentration; | 98.2% |
6-chloro-2-[5-hydroxy-2-(2-methoxyethoxymethoxy)biphenyl-3-yl]-1-methansulfonyl-1H-indole-5-carbonitrile
1-bromoethyl acetate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In acetonitrile at 20℃; for 18h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20℃; | 98% |
1-bromoethyl acetate
(S)-ibuprofen
(S)-(+)-ibuprofen-1-acetoxy ethyl ester
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In acetone at 20 - 25℃; | 91.5% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 10℃; for 3h; | 91.5% |
1-bromoethyl acetate
(R)-ibuprofene
(R)-(-)-ibuprofen-1-acetoxy ethyl ester
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In acetone at 20 - 25℃; | 91.4% |
The CAS register number of 1-Bromoethyl acetate is 40258-78-4. It also can be called as Ethanol, 1-bromo-,1-acetate and the systematic name about this chemical is Ethanol, 1-bromo-,1-acetate. The molecular formula about this chemical is C4H7BrO2 and the molecular weight is 167.00.
Physical properties about 1-Bromoethyl acetate are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 110; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 30.046 cm3; (13)Molar Volume: 111.603 cm3; (14)Polarizability: 11.911x10-24cm3; (15)Surface Tension: 32.053 dyne/cm; (16)Enthalpy of Vaporization: 37.874 kJ/mol; (17)Boiling Point: 141.555 °C at 760 mmHg; (18)Vapour Pressure: 5.824 mmHg at 25°C.
Uses of 1-Bromoethyl acetate: it can be used to produce Essigsaeure-(2,4,6,8-cyclononatetraenyl)methylester with Lithium-cyclononatetraenid at temperature of -20 ℃. This reaction will need solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 61%.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(OC(=O)C)C
(2)InChI: InChI=1/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(3)InChIKey: IIASCQBFNHWZBE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(5)Std. InChIKey: IIASCQBFNHWZBE-UHFFFAOYSA-N