1,3-Dibromo-2,2-Dimethoxypropane
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1,3-Dibromo-2,2-Dimethoxypropane
structure -
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CAS No:
22094-18-4
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Formula:
C5H10Br2O2
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Chemical Name:
1,3-Dibromo-2,2-Dimethoxypropane
- Categories:
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CAS No:
Characteristics
18.46000
1.4
white crystalline powder
1.743 g/cm3
65-68ºC
254.1ºC at 760 mmHg
100.1ºC
1.499
0.0281mmHg at 25°C
Safety Information
3
R36/37/38
S24/25
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,3-Dibromo-2,2-Dimethoxypropane Use and Manufacturing
To a stirring solutionof compound 29.1(157g, 2.7 mol) in CH30H (1.6 L) at 0°Cwas added Br2 (950 g, 5.9 moL) dropwise, and the reactionwas stirred with warming tort for 15 hr. The precipitate was collected by filtration and was washed with cold methanol to yield5 compound29.2 (450 g, 60percent) as a white solid.To a solution of acetone (12.6 ml) in methanol (150 ml), bromine (20 ml) was added dropwise over the time of 1 h. Initially the reaction was slightly exothermic so an ice bath was applied. Upon completion of addition, the ice bath was removed and the resulting deep red reaction was stirred at 25° C. for 24 h. After such time, the reaction was cooled in an ice/acetone bath and stirred for 1 h. Filtration of the precipitate and wash with cold methanol afforded 1, 3-dibromo-2, 2-dimethoxy-propane (14.72 g, 32percent) as a white solid: To a stirring solutionof compound 29.1(157g, 2.7 mol) in CH30H (1.6 L) at 0°Cwas added Br2 (950 g, 5.9 moL) dropwise, and the reactionwas stirred with warming tort for 15 hr. The precipitate was collected by filtration and was washed with cold methanol to yield5 compound29.2 (450 g, 60percent) as a white solid.To a solution of acetone (12.6 ml) in methanol (150 ml), bromine (20 ml) was added dropwise over the time of 1 h. Initially the reaction was slightly exothermic so an ice bath was applied. Upon completion of addition, the ice bath was removed and the resulting deep red reaction was stirred at 25° C. for 24 h. After such time, the reaction was cooled in an ice/acetone bath and stirred for 1 h. Filtration of the precipitate and wash with cold methanol afforded 1, 3-dibromo-2, 2-dimethoxy-propane (14.72 g, 32percent) as a white solid: To a flask was added N-methylpyrrolidone (30 mL), tert-butyl cyanoacetate (8.08 g) at room temperature. To a resulting solution was added potassium tert-butoxide (7.71 g), l, 3-dibromo-2, 2-dimethoxy propane (5.00 g) at 0 C. To another flask, potassium iodide (158 mg), 2, 6-di-tert-butyl-p-cresol (42 mg), N-methylpyrrolidone (25 mL) were added at room temperature and then resulting solution was heated to 165 C. To this solution, previously prepared mixture was added dropwise at 140-165 C, then stirred for 2 hours at 165 C. To the reaction mixture, water (65 mL) was added. A resulting solution was extracted with toluene (40 mL, three times) and then combined organic layer was washed with water (20 mL, three times) and 1N NaOH aq. (20 mL). A resulting organic layer was concentrated below 50 C under reduced pressure to give 3, 3 -dimethoxy cyclobutane- l-carbonitrile (66% yield, (0241) GC assay) as toluene solution. 1H MR (CDCl3, 400 MHz) d 3.17 (s, 3H), 3.15 (s, 3H), 2.93- 2.84 (m, 1H), 2.63-2.57 (m, 2H), 2.52-2.45 (m, 2H).
Computed Properties
Molecular Weight:261.94
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:261.90271
Monoisotopic Mass:259.90475
Topological Polar Surface Area:18.5
Heavy Atom Count:9
Complexity:67.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-Dibromo-2,2-Dimethoxypropane
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