1,1,1-Trifluoro-4-iodobutane
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1,1,1-Trifluoro-4-iodobutane
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CAS No:
461-17-6
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Formula:
C4H6F3I
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Chemical Name:
1,1,1-Trifluoro-4-iodobutane
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Synonyms:
Butane,1,1,1-trifluoro-4-iodo-;1,1,1-Trifluoro-4-iodobutane;4,4,4-Trifluorobutyl iodide;1-Iodo-4,4,4-Trifluorobutane;4,4,4-Trifluoro-1-iodobutane;4-Iodo-1,1,1-trifluorobutane
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CAS No:
Safety Information
R36/37/38
S23-S26-S36
Xi: Irritant;
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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1,1-Trifluoro-4-iodobutane Use and Manufacturing
To a solution of 300 mg (1.14 mmol) of the compound from Ex. 303A in 5 ml of anhydrous DMF were added 392 mg (2.84 mmol) of potassium carbonate, and the mixture was stirred at RT for 15 min. Then 810 mg (3.41 mmol) of 200 mg (0.8 mmol) of the compound from Ex. 34A and 261 mg (1.9 mmol) of potassium carbonate were initially charged in 2.9 ml of anhydrous DMF, 540 mg (2.27 mmol) of Under a nitrogen atmosphere, 60% sodium hydride (3.02 g, 75.4 mmol) was charged into a 300 mL four-necked flask equipped with a stirrer, a dropping funnel, a thermometer and a reflux condenser, and then mineral oil was added with hexane. Was removed by washing. Next, dry DMF (64 mL) was added.The mixture was heated to 50 C. with stirring. To this, a solution of the intermediate (1) (4 g, 9.4 mmol) dissolved in dry DMF (32 mL) was added via a dropping funnel, and after the addition was completed, stirring was further continued for 1 hour. Then, Under a nitrogen atmosphere, 60% sodium hydride (2.19 g, 54.7 mmol) was charged into a 300 mL four-necked flask equipped with a stirrer, a dropping funnel, a thermometer and a reflux condenser, and then mineral oil was added with hexane. Was removed by washing. Next, dry DMF (64 mL) was added.The mixture was heated to 50 C. with stirring. Thereto, p-allylic calix [4] arene (4.0 g) represented by the following structural formula (4), which was synthesized by the method described in The Journal of Organic Chemistry, 1985, vol. 50, p. 5802-5806. , 6.8 mmol) in dry DMF (32 mL) was added through a dropping funnel, and after the addition was completed, stirring was continued for another hour. Then,
Computed Properties
Molecular Weight:237.99
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:237.94663
Monoisotopic Mass:237.94663
Heavy Atom Count:8
Complexity:58.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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