2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester
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2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester
structure -
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CAS No:
59337-93-8
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Formula:
C6H7NO4S2
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Chemical Name:
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester
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Synonyms:
2-Thiophenecarboxylic acid,3-(aminosulfonyl)-,methyl ester;3-Sulfamoyl-2-(methoxycarbonyl)thiophene;Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate;Methyl 3-sulfamoyl-2-thiophenecarboxylate;2-(Methoxycarbonyl)thiophene-3-sulfonamide;3-Sulfamoyl-thiophene-2-carboxylic acid methyl ester
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CAS No:
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester Basic Attributes
221.25
221.25
611-820-9
ESI9CQO80V
DTXSID0044490
2935009090
Characteristics
123
-0.09
1.5±0.1 g/cm3
123-124 °C @ Solvent: Water
428.3±55.0 °C at 760 mmHg
212.8±31.5 °C
1.579
Safety Information
IRRITANT
36-43
26-36/37
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester Use and Manufacturing
The preparation method is to add 3-aminothiophene-2-carboxylic acid methyl ester into the reaction kettle, then add acetic acid and hydrochloric acid, stir to a certain temperature (generally at -5°C), and add sodium nitrite aqueous solution dropwise to the kettle to maintain At a certain temperature, the dripping time is about 10h, and the heat preservation reaction is 1h. Add the above-mentioned diazonium liquid and a certain amount of hydrochloric acid, acetic acid and copper chloride catalyst to another reaction kettle, stir, cool to a certain temperature, pass in sulfur dioxide, aeration reaction time is about 8h, then keep for 8h, add water, filter, and wash with water , The compound is sulfonyl chloride. Add 3-sulfonylchlorothiophene-2-carboxylic acid methyl ester and a certain amount of solvent into the ammoniation kettle, stir and pass in ammonia gas until the temperature does not rise, about 6 hours, keep it warm for 1 hour, and pump into the washing pot Wash with water, cool to a certain temperature, filter by suction, separate layers, and recover the solvent from the organic layer to obtain the finished product.
Used to synthesize thisulfuron herbicides, and also used to synthesize pharmaceutical products
Intermediates
Pesticide, fertilizer, and other agricultural chemical manufacturing|2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Environmental transformation -> Pesticide transformation products (metabolite, successor)
2-ester-3-sulfonamide (IN-A5546) is a known environmental transformation product of Thifensulfuron-methyl.
Computed Properties
Molecular Weight:221.3
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:220.98165005
Monoisotopic Mass:220.98165005
Topological Polar Surface Area:123
Heavy Atom Count:13
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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