3-Iodo-4-methoxybenzaldehyde
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3-Iodo-4-methoxybenzaldehyde
structure -
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CAS No:
2314-37-6
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Formula:
C8H7IO2
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Chemical Name:
3-Iodo-4-methoxybenzaldehyde
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Synonyms:
Benzaldehyde,3-iodo-4-methoxy-;p-Anisaldehyde,3-iodo-;3-Iodo-4-methoxybenzaldehyde
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CAS No:
Characteristics
26.3
2.5
1.8±0.1 g/cm3
104-106 °C
325ºC at 760 mmHg
150.3±25.1 °C
1.633
0.000237mmHg at 25°C
Safety Information
UN 2811 6.1 / PGIII
3
61
Xn,N
P273-P301 + P310
H301-H400
|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Iodo-4-methoxybenzaldehyde Use and Manufacturing
General procedure: To a stirred solution of the substrate (1 mmol) in CHA mixture of p-anisaldehyde (1.00 g, 7.34 mmol), iodine (932 mg, 3.67 mmol) and selectfluor (1.56 g, 4.40 mmol) in 75 mL of methanol was heated at 50 °C for 21 h. The reaction was cooled and diluted with dichloromethane, washed with saturated aqueous sodium bicarbonate, dried over MgSOGeneral procedure: To a solution of p-bromobenzyl alcohol I-1 (187 mg, 1.0 mmol) in DMF (2.0 mL) was added HIOGeneral procedure: 4-Bromobenzyl alcohol (187 mg, 1.0 mmol)Was dissolved in 2.0 mL of DMF solvent, This was mixed with iodic acid (194 mg, 1.1 mmol).The mixture was stirred for 2 hours at room temperature to 60 ° C. in an Ar atmosphere.To the reaction mixture was added aqueous sodium thiosulfate solution and extracted with diethyl ether: hexane = 1: 1 (3 × 10 mL).The extract was dried over anhydrous sodium sulfate, and then the solvent was distilled off under reduced pressure.The residue was purified by silica gel column chromatography (ethyl acetate: hexane = 1: 4) to give 4-bromobenzaldehyde as a final product (yield 91percent). The same treatment was carried out except that the primary alcohol or secondary alcohol was used instead of 4-bromobenzyl alcohol used in based on the following general formula (1) to obtain a carbonyl compound shown in Table 1 Were obtained in yields shown in Table 1, respectively.
Computed Properties
Molecular Weight:262.04
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:261.94908
Monoisotopic Mass:261.94908
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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