4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
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4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
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CAS No:
71675-87-1
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Formula:
C10H13NO5S
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Chemical Name:
4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
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Synonyms:
Benzoic acid,4-amino-5-(ethylsulfonyl)-2-methoxy-;4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid;2-Methoxy-4-amino-5-ethylsulfonyl benzoic acid
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CAS No:
Characteristics
115
1.2
Slightly pink solid
1.4±0.1 g/cm3
82-85°C
529.6°C at 760 mmHg
274.1±30.1 °C
1.569
-20°C Freezer
Safety Information
IRRITANT
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 18 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid Use and Manufacturing
30percent Hydrogen peroxide was slowly added to a solution of the 4-amino-2-methoxy-5- ethylthio methyl benzoate (X) (1.21 Kg) in isopropyl alcohol (4.84 Lit.) containing sodium tungstate (0.0082 Kg) as a catalytic amount at ambient temperature. The mixture was stirred at 40-45°C for 3-4 hrs then cooled to 5-10°C. 5percent sodium thiosulphate solution (0.06 Kg in 18.15 lit. water) was added to reaction mixture. Reaction mass was stirred for 60 min and 2- methoxy-4-amino-5-ethyl-sulfonyl methyl benzoate (XI) was obtained in situ. To the reaction mixture was added sodium hydroxide (1.00 Kg, in 10 lit. water). The temperature was raised up to 60-65 °C and stirred the reaction mixture for 2-3 hrs. The reaction mass was cooled and adjusted pH 4.0 - 4.5 by using diluted hydrochloric acid (1 : 10). The product was isolated by filtration under suction.Yield : 82percentPurity: 99percent10 g of 150 g of 50 g of 153 g of 50 g of 153 g of Under nitrogen protection, acetone 400 ml,
Computed Properties
Molecular Weight:259.28
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:259.05144369
Monoisotopic Mass:259.05144369
Topological Polar Surface Area:115
Heavy Atom Count:17
Complexity:375
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
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