1-Chloro-2-fluoro-3-iodobenzene
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1-Chloro-2-fluoro-3-iodobenzene
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CAS No:
72373-82-1
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Formula:
C6H3ClFI
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Chemical Name:
1-Chloro-2-fluoro-3-iodobenzene
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Synonyms:
Benzene,1-chloro-2-fluoro-3-iodo-;1-Chloro-2-fluoro-3-iodobenzene;2-Chloro-6-iodofluorobenzene;3-Chloro-2-fluoroiodobenzene
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CAS No:
Safety Information
NONH for all modes of transport
3
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
1-Chloro-2-fluoro-3-iodobenzene Use and Manufacturing
(0112) A 500 mL flask was charged with The compounds dibenzo[b, d]furan-2-ol (30g, 0.16mol), 1-chloro-2-fluoro-3-iodo-benzene (41.7g, 0.16mol) in 300ml DMF in a nitrogen atmosphere completely After dissolving, potassium carbonate (44.2 g, 0.32 mol) was added and the mixture was heated with stirring for 2 hours. The temperature was lowered to room temperature, and water was added to obtain a solid, which was purified by column chromatography (chloroform / hexane) to give Compound 1-A (60.5 g, yield: 90percent)To a solution of 5-{4-[(S)-1-(3-fluoropropyl)pyrrolidin-3-yloxy]phenyl}-6-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-8, 9-dihydro-7H-benzocyclohepten-2-ol (D') (100.3 mg, 197.66 mumol), in dioxane (1 ml) and water (0.5 ml), was added General procedure: A mixture of Meldrum's acid (1 mmol) and Et3N (2 mmol) in DMF was stirred for 15 min at r.t. Then, CS2 (1 mmol) was added and stirred for 15 min. Then, the obtained mixture was added to a stirred solution of aryl halide (1 mmol) and CuCl (0.1 mmol) in DMF (2 ml), and heated at 100 C for 4h. When the reaction was completed (TLC), the mixture was extracted with CH2Cl2 (3 3ml) and H2O (3ml). The organic layer was separated and dried (Na2SO4) and the solvent was evaporated in vacuo to give the diaryl disulfide. The product was purified by column chromatography on silica gel (EtOAc / Petroleum ether, 1:4).
Computed Properties
Molecular Weight:256.44
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Exact Mass:255.89520
Monoisotopic Mass:255.89520
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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