2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
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![2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b3ca18dbf32f4659922e5fb6fdd6c029.png "2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene")
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
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CAS No:
898566-17-1
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Formula:
C18H14FIS
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Chemical Name:
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
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Synonyms:
Thiophene,2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-;2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene;2-(4-Fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene;5-(5-Iodo-2-methylbenzyl)-2-(4-fluorophenyl)thiophene;2-(5-Iodo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene;1363332-76-6;2055479-82-6
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CAS No:
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene Basic Attributes
408.27
408.27
1592732-453-0
DTXSID80672128
2934999090
Safety Information
NONH for all modes of transport
P280-P305 + P351 + P338
H302-H318-H413
|Danger|H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene Use and Manufacturing
10098] 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene (100 g; see WO 2005/012326 pamphlet) was dissolved in toluene (300 mL) at room temperature under N2 atmosphere. Sodium iodide (83 g), copper (I) iodide (2.64 g), N, N’-dimethyl ethylenediamine (2.94 mL) and diglyme (50 mL) was added to the mixture at room temperature. The reaction mixture was heated to reflux temperature and stirred for 36 hours. Ethyl acetate (300 mL) was added to the mixture at 40° C. and the mixture was filtered using activated carbon pre-coated filtet The filtrate was washed and then evaporated. The resulting residue was suspended in methanol (426 mL) at reflux temperature for 75 minutes. The resulting slurry was cooled to 25° C. and stirred for 1 hout The precipitate was filtered and washed with methanol, then dried at 50° C. in vacuo to give 2-(5-iodo-2-methylbenzyl)-5-(4-fluorophenyl) thiophene (94.9 g) as white crystals. mlz (APCI), 409 (M+ H);mp 109-110° C.
Computed Properties
Molecular Weight:408.3
XLogP3:6.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:407.98450
Monoisotopic Mass:407.98450
Topological Polar Surface Area:28.2
Heavy Atom Count:21
Complexity:329
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
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