4-IODOBUTYL ACETATE
- CAS NO.:40596-44-9
- Empirical Formula: C6H11IO2
- Molecular Weight: 242.05
- MDL number: MFCD00010664
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-07-27 13:57:03
What is 4-IODOBUTYL ACETATE?
Chemical properties
CLEAR DARK BROWN LIQUID
The Uses of 4-IODOBUTYL ACETATE
4-Iodobutyl acetate is used in the preparation of tricyclohexyl(acetoxybutyl))phosphonium iodide, tri-n-hexyl(acetoxybutyl))phosphonium iodide
Synthesis Reference(s)
Synthetic Communications, 24, p. 951, 1994 DOI: 10.1080/00397919408020770
Synthesis
The synthesis of 4-IODOBUTYL ACETATE is as follows:Acetic acid (0.30mmol, 1.0 equivalent), CuI (0.03mmol, 10.0mol%, 5.7mg) and NaI (0.60mmol, 2.0 equivalent, 89.9mg) were added to a 10mL Schlenk tube equipped with a magnetic stirring device. Vacuum the flask with a pump and backfill it three times with nitrogen. Then, 1.0 mL tetrahydrofuran (12.30 mmol, 41.0 equivalence, 1 mL, c=0.30 M), deionized water (0.45 mmol, 1.5 equivalence) and TMSCF3 (0.36 mmol, 1.2 equivalence) were added under N2 atmosphere. The mixture is stirred at 150°C (thermostatic oil bath pot) for 12 hours. After cooling to room temperature, dilute the mixture with ethyl acetate (15 mL), wash with water and brine, and dry on anhydrousNa2SO4. After Extraction by EtOAc (5 mL x 3), the combined organic layer was dehydrated with anhydrousNa2SO4 and concentrated under reduced pressure. The crude product is purified by rapid chromatography on silica gel to obtain alkyl iodide.
Properties of 4-IODOBUTYL ACETATE
Boiling point: | 94-95 °C5.5 mm Hg(lit.) |
Density | 1.61 g/mL at 25 °C(lit.) |
refractive index | n |
Flash point: | 195 °F |
solubility | Difficult to mix. |
color | Light green turbid |
Sensitive | Light Sensitive |
CAS DataBase Reference | 40596-44-9(CAS DataBase Reference) |
Safety information for 4-IODOBUTYL ACETATE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids |
Precautionary Statement Codes |
P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for 4-IODOBUTYL ACETATE
New Products
6-Bromo 2-Iodo Indole Fosfomycin EP impurity D Rimegepant Impurity 3 Ivermectin EP Impurity B Tubulysin A Tubulysin D Tubulysin G Tubulysin C 2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol ethanedioate Fuel shell (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine Calcium Sodium Phosphosilicate IH Imeglimin Hydrochloride IH 2-(1-(Mercaptomethyl) cyclopropyl) acetonitrile 3-Morpholino-1-[4-(2-oxo-1-piperidyl)phenyl]-5,6-dihydropyridin-2(1H)-one Methyl 4-amino-3-(piperidin-1-yl)benzoate 2-Ethoxy-4-nitrobenzoic acid 5-Aminophthalazine (1-Isopropyl-1H-pyrazol-5-yl)boronic acid 3,6-Bis(4-iodophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucito 4-Methoxy-2,3-dihydro-1H-inden-1-one 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrileRelated products of tetrahydrofuran
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