Description

Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate (CAS No. 80036-89-1) is a high-purity organic compound with the molecular formula C₁₁H₁₅NO₅S. This benzoate derivative features an amino group at the 4-position, an ethylsulfonyl moiety at the 5-position, and a methoxy group at the 2-position, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. Its well-defined structure and high reactivity enable precise modifications in complex organic reactions. Suitable for researchers and industrial applications, this compound is supplied with comprehensive analytical data including HPLC, NMR, and MS to ensure quality and consistency. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 80036-89-1
• Complexity: 389
• IUPAC Name: methyl 4-amino-5-ethylsulfonyl-2-methoxy-benzoate
• InChI: InChI=1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3
• InChI Key: BBWJVKZAKHIKRQ-UHFFFAOYSA-N
• Exact Mass: 273.06709375
• Molecular Formula: C11H15NO5S
• Molecular Weight: 273.31
• SMILES: CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)OC)N
• Topological: 104
• Monoisotopic Mass: 273.06709375
• Synonyms: Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate, 616-818-1, 80036-89-1, methyl 4-amino-5-(ethylsulfonyl)-2-methoxybenzoate, METHYL 4-AMINO-5-(ETHYLSULPHONYL)-2-METHOXYBENZOATE, MFCD07787259, methyl 4-amino-5-(ethanesulfonyl)-2-methoxybenzoate, 2-Methoxy-4-amino-5-ethsulfonyl benzoic acid methyl ester, SCHEMBL12070949, DTXSID00512653, BCP22950, AC2435, SBB066400, AKOS015843676, AC-6118, PS-7264, SY042588, methyl4-amino-5-(ethylsulfonyl)-2-methoxybenzoate, 2-methoxyl-4-amino-5-ethylsulfonyl methyl benzoate

Application

Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate is primarily used as a key intermediate in the synthesis of specialty chemicals, including potential pharmaceutical agents and crop protection compounds. Its reactive sulfonyl and amino groups facilitate further functionalization, making it valuable for heterocyclic chemistry and drug discovery. Researchers also employ it in the development of novel dyes and materials due to its electron-rich aromatic core.

Safety and Hazards

GHS Hazard Statements

• H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.