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Basic Information
| CAS No.: | 63555-50-0 |
|---|---|
| Name: | methyl 3-chlorosulfonylbenzoate |
| Article Data: | 24 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7 Cl O4 S |
| Molecular Weight: | 234.66 |
| Synonyms: | 3-(Methoxycarbonyl)benzenesulfonylchloride; Methyl 3-(chlorosulfonyl)benzoate; Methyl benzoate-3-sulfonyl chloride |
| Density: | 1.431 |
| Boiling Point: | 345.6±25.0 °C(Predicted) |
| PSA: | 68.82000 |
| LogP: | 2.48150 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 13h; | 100% |
| pyridine In dichloromethane at 20℃; for 2h; | 92% |
| With pyridine In dichloromethane at 10 - 35℃; for 2h; | 92% |
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 3-Carboxybenzenesulfonyl chloride With thionyl chloride at 20℃; for 16h; Inert atmosphere; Stage #2: methanol at 20℃; for 2h; Inert atmosphere; | 100% |
| Stage #1: 3-Carboxybenzenesulfonyl chloride With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1.5h; Inert atmosphere; Stage #2: methanol In dichloromethane; N,N-dimethyl-formamide for 0.25h; Inert atmosphere; | 58% |
| Stage #1: 3-Carboxybenzenesulfonyl chloride With thionyl chloride for 2h; Heating; Stage #2: methanol for 0.25h; |
- 2565-10-8
sodium 3-(methoxycarbonyl)benzenesulfonate
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
Conditions
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide at 80℃; | 85% |
| With thionyl chloride In N,N-dimethyl-formamide at 80℃; | 85% |
| With thionyl chloride; N,N-dimethyl-formamide In N,N-dimethyl-formamide at 80℃; for 12h; |
- 4518-10-9
Methyl 3-aminobenzoate
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: Methyl 3-aminobenzoate With tris(bipyridine)ruthenium(II) dichloride hexahydrate; isopentyl nitrite In acetonitrile at 20℃; for 0.0833333h; Sealed tube; Stage #2: With thionyl chloride In water; acetonitrile at 20℃; for 20h; Irradiation; | 76% |
| Stage #1: Methyl 3-aminobenzoate With hydrogenchloride; acetic acid; sodium nitrite In water at -10 - -5℃; for 1.5h; Stage #2: With sulfur dioxide; copper(l) chloride In water; acetic acid at 5 - 15℃; for 1h; | 67% |
| Stage #1: Methyl 3-aminobenzoate With hydrogenchloride; sodium nitrite In water at 0℃; Stage #2: With sulfur dioxide; acetic acid; copper(l) chloride In water at 20℃; for 3h; | 42% |
| Stage #1: Methyl 3-aminobenzoate With hydrogenchloride; sodium nitrite In water at 0℃; for 0.666667h; Stage #2: With sulfur dioxide; acetic acid; copper dichloride In water at 0 - 20℃; for 0.666667h; |
- 186581-53-3, 908094-01-9
diazomethane
- 4025-64-3
3-Carboxybenzenesulfonyl chloride
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
Conditions
| Conditions | Yield |
|---|---|
| In diethyl ether |
- 67-56-1
methanol
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
- 4025-64-3
3-Carboxybenzenesulfonyl chloride
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
- 4052-92-0
3-chlorosulfonylbenzoyl dichloride
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
Conditions
| Conditions | Yield |
|---|---|
| With pyridine In methanol; dichloromethane |
- 99769-19-4
[3-(methoxycarbonyl)phenyl]boronic acid
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
Conditions
| Conditions | Yield |
|---|---|
| With phenylchlorosulfate; C43H43NO3PPdS; sodium carbonate In acetone at 60℃; for 12h; Inert atmosphere; Sealed tube; |
- 17625-03-5
m-sulfobenzoic acid, monosodium salt
- 63555-50-0
methyl 3-chlorosulfonylbenzoate
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogenchloride / 4 h / Reflux 2: thionyl chloride / N,N-dimethyl-formamide / 80 °C View Scheme | |
| Multi-step reaction with 2 steps 1: hydrogenchloride / 20 °C / Reflux 2: thionyl chloride / N,N-dimethyl-formamide / 80 °C View Scheme | |
| Multi-step reaction with 2 steps 1: thionyl chloride / 24 h / Reflux 2: thionyl chloride; N,N-dimethyl-formamide / N,N-dimethyl-formamide / 12 h / 80 °C View Scheme |
