Description

Ethyl 2-(((2,6-difluorophenyl)methyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate (CAS No. 1589503-97-8) is a high-purity synthetic organic compound with the molecular formula C₂₆H₂₇F₂N₃O₆S. This advanced chemical intermediate features a multifunctional thiophene core substituted with a 2,6-difluorophenylmethyl group, an ethoxycarbonylamino moiety, a dimethylaminomethyl group, and a 4-nitrophenyl ring. The compound is supplied as a research-grade material with ≥95% purity (HPLC) and is ideal for pharmaceutical development, medicinal chemistry research, and organic synthesis applications. Each batch undergoes rigorous QC testing including NMR, HPLC, and mass spectrometry to ensure consistency and reliability for your research needs. Available in convenient packaging options from milligrams to gram quantities under inert atmosphere when required.

Properties

• CAS Number: 1589503-97-8
• Complexity: 800
• IUPAC Name: ethyl 2-[(2,6-difluorophenyl)methyl-ethoxycarbonyl-amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophene-3-carboxylate
• InChI: InChI=1S/C26H27F2N3O6S/c1-5-36-25(32)22-19(14-29(3)4)23(16-10-12-17(13-11-16)31(34)35)38-24(22)30(26(33)37-6-2)15-18-20(27)8-7-9-21(18)28/h7-13H,5-6,14-15H2,1-4H3
• InChI Key: RXZAFTDZUPTIRJ-UHFFFAOYSA-N
• Exact Mass: 547.15886309
• Molecular Formula: C26H27F2N3O6S
• Molecular Weight: 547.6
• SMILES: CCOC(=O)C1=C(SC(=C1CN(C)C)C2=CC=C(C=C2)[N+](=O)[O-])N(CC3=C(C=CC=C3F)F)C(=O)OCC
• Topological: 133
• Monoisotopic Mass: 547.15886309
• Synonyms: 1589503-97-8, ethyl 2-{[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino}-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophene-3-carboxylate, Ethyl 2-(((2,6-difluorophenyl)methyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate, 854-336-5, Chemtrue-RL-N5, Ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylate, ethyl 2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophene-3-carboxylate, MFCD34179895, SCHEMBL16964278, BS-46403, F71693, Ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-((dimethylamino)methyl)-5-(4-

Application

This specialized thiophene derivative serves as a key intermediate in the synthesis of novel pharmaceutical compounds, particularly in the development of kinase inhibitors and other biologically active molecules. Researchers utilize this compound in medicinal chemistry programs targeting inflammatory diseases and cancer pathways. The presence of multiple functional groups makes it valuable for structure-activity relationship (SAR) studies and lead optimization.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

Precautionary Statements

• P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)
• Carc. 2 (100%)

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