Description

1,2,3-Trimethoxy-5-[(E)-2-nitrovinyl]benzene (CAS: 6316-70-7) is a high-purity synthetic organic compound with the molecular formula C₁₁H₁₃NO₅. This nitrovinyl-substituted trimethoxybenzene derivative is a valuable intermediate for pharmaceutical research, agrochemical development, and material science applications. Its unique structure, featuring an electron-withdrawing nitrovinyl group conjugated with a trimethoxybenzene core, makes it particularly useful in electrophilic reactions and as a precursor for bioactive molecules. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for identity (NMR, MS) and impurities. Proper storage at 2-8°C in airtight containers is recommended to maintain stability. Suitable for research use only (RUO).

Properties

• CAS Number: 6316-70-7
• Complexity: 262
• IUPAC Name: 1,2,3-trimethoxy-5-[(E)-2-nitrovinyl]benzene
• InChI: InChI=1S/C11H13NO5/c1-15-9-6-8(4-5-12(13)14)7-10(16-2)11(9)17-3/h4-7H,1-3H3/b5-4+
• InChI Key: PEPYBEJQAIGLRE-SNAWJCMRSA-N
• Exact Mass: 239.07937252
• Molecular Formula: C11H13NO5
• Molecular Weight: 239.22
• SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/[N+](=O)[O-]
• Topological: 73.5
• Monoisotopic Mass: 239.07937252
• Synonyms: 6316-70-7, 1,2,3-trimethoxy-5-[(E)-2-nitrovinyl]benzene, 40663-31-8, 1,2,3-trimethoxy-5-[(E)-2-nitroethenyl]benzene, 1-(3,4,5-TRIMETHOXYPHENYL)-2-NITROETHENE, (E)-1,2,3-trimethoxy-5-(2-nitrovinyl)benzene, 1,2,3-trimethoxy-5-(2-nitrovinyl)benzene, 1,2,3-trimethoxy-5-[(1E)-2-nitroethenyl]benzene, MFCD00060550, NSC22597, BETA-NITRO-3,4,5-TRIMETHOXYSTYRENE, CHEMBL611950, SCHEMBL6169337, 3,4,5-Trimethoxy-B-Nitrostyrene, BDBM512802, DTXSID601344196, acs.jmedchem.1c00409_ST.397, trans-3,4,5-trimethoxynitrostyrene, NSC-22597, 3,4,5-Trimethyl-.beta.-nitrostyrene, AKOS000277478, LS-07334, trans-3,4,5-trimethoxy-beta-nitrostyrene, CS-0326783, ST45023828, E86116, EN300-1869154, 5-((1E)-2-nitrovinyl)-1,2,3-trimethoxybenzene, AG-205/03699006

This compound serves as a key synthon in medicinal chemistry for developing antitumor and antimicrobial agents due to its nitrovinyl pharmacophore. Researchers utilize it as a Michael acceptor in nucleophilic addition reactions or as a precursor for heterocyclic compounds. It has demonstrated utility in organic electronics as an electron-accepting building block. The trimethoxy substitution pattern enhances solubility for synthetic applications.

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