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Home > Encyclopedia > 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid

4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid

4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid structure

4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid 

structure
  • CAS No:

    71675-87-1

  • Formula:

    C10H13NO5S

  • Chemical Name:

    4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid

  • Synonyms:

    Benzoic acid,4-amino-5-(ethylsulfonyl)-2-methoxy-;4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid;2-Methoxy-4-amino-5-ethylsulfonyl benzoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Slightly Pink Solid

4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid Basic Attributes

259.28

259.28

275-833-8

2922509090

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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