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CAS No.: | 619-44-3 |
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Name: | Methyl 4-iodobenzoate |
Article Data: | 95 |
Molecular Structure: | |
Formula: | C8H7IO2 |
Molecular Weight: | 262.047 |
Synonyms: | Benzoicacid, p-iodo-, methyl ester (6CI,7CI,8CI);4-(Carbomethoxy)iodobenzene;4-(Methoxycarbonyl)-1-iodobenzene;4-(Methoxycarbonyl)iodobenzene;4-(Methoxycarbonyl)phenyl iodide;4-Iodobenzoic acid methyl ester;Methyl p-iodobenzoate;NSC 9393;p-(Methoxycarbonyl)phenyliodide;p-Iodobenzoic acid methyl ester; |
EINECS: | 210-597-1 |
Density: | 1.753 g/cm3 |
Melting Point: | 113-117 °C |
Boiling Point: | 276.1 °C at 760 mmHg |
Flash Point: | 120.8 °C |
Appearance: | beige to pale pink crystalline powder |
Hazard Symbols: | Xi, N |
Risk Codes: | 36/37/38-51/53 |
Safety: | 37/39-26-61 |
Transport Information: | UN 3082 |
PSA: | 26.30000 |
LogP: | 2.07780 |
Conditions | Yield |
---|---|
With acetyl chloride at 60℃; for 12h; | 100% |
With sulfuric acid for 30h; Reflux; | 99% |
With sulfuric acid Reflux; | 99% |
Conditions | Yield |
---|---|
With N-chloro-succinimide In methanol; acetic acid to a soln. of Sn-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (10% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 20 min; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield; | 98% |
With N-chloro-succinimide In methanol; acetic acid to a soln. of Sn-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield; | 98% |
methyl 4-iodobenzoate
Conditions | Yield |
---|---|
With iodine In various solvent(s) at 100℃; for 9h; | 97% |
methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate
methyl iodide
methyl 4-iodobenzoate
Conditions | Yield |
---|---|
at 110 - 120℃; for 6h; | 97% |
Conditions | Yield |
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With dihydrogen peroxide at 20℃; for 20h; | 97% |
With oxygen; potassium carbonate at 65℃; for 3h; Catalytic behavior; | 82 %Chromat. |
Conditions | Yield |
---|---|
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of two equivalents of NCS in MeOH, the mixture was stirred at 25°C for 24 h; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield; | 96% |
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 20 h; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield; | 70% |
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (100% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 3 h; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield; | 60% |
With N-chloro-succinimide In methanol; acetic acid to a soln. of B-compd. in MeOH was added NaI in MeOH, then Na(125)I was added (10% stoichiometric amount of NaI/Na(125)I), addn. of AcOH followed by addn. of NCS in MeOH, the mixture was stirred at 25°C for 20 min; the reaction was monitored by use of HPLC equipped with a UV detector, the yield was calculated by HPLC analysis of a solution of known concn., the established yield is the radiochemical yield; | >99 |
Conditions | Yield |
---|---|
With copper(II) bis(trifluoromethanesulfonate) at 20℃; for 16h; | 96% |
Conditions | Yield |
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With triethylamine at 100℃; for 24h; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
In methanol at 20℃; | 95% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0℃; for 0.5h; | 93% |
Stage #1: 4-iodobenzoic acid chloride With pyridine In dichloromethane at 20℃; for 16h; Stage #2: With pyridinium p-toluenesulfonate In toluene at 50℃; for 16h; Stage #3: methanol With sodium amide In tetrahydrofuran for 0.5h; Further stages.; |
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