Description

3-(1-Benzyl-1H-indol-3-yl)propanoic acid (CAS No. 141071-79-6) is a high-purity indole derivative with the molecular formula C₁₈H₁₇NO₂. This compound features a benzyl-substituted indole core coupled with a propanoic acid side chain, making it a valuable intermediate in organic synthesis and medicinal chemistry research. With a molecular weight of 279.34 g/mol, it is supplied as a white to off-white crystalline powder, ensuring consistent performance in experimental applications. Ideal for researchers exploring indole-based scaffolds, this product is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and is packaged under inert conditions to guarantee stability. Suitable for use in drug discovery, biochemical studies, and material science applications.

Properties

• CAS Number: 141071-79-6
• Complexity: 351
• IUPAC Name: 3-(1-benzylindol-3-yl)propanoic acid
• InChI: InChI=1S/C18H17NO2/c20-18(21)11-10-15-13-19(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10-12H2,(H,20,21)
• InChI Key: QTUJYJWSZIVMMF-UHFFFAOYSA-N
• Exact Mass: 279.125928785
• Molecular Formula: C18H17NO2
• Molecular Weight: 279.3
• SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC(=O)O
• Topological: 42.2
• Monoisotopic Mass: 279.125928785
• Synonyms: 3-(1-Benzyl-1H-indol-3-yl)propanoic acid, 141071-79-6, 3-(1-benzylindol-3-yl)propanoic Acid, 1H-Indole-3-propanoic acid, 1-(phenylmethyl)-, 3-(1-Benzyl-1H-indol-3-yl)-propionic acid, SCHEMBL2006750, DTXSID10393612, QTUJYJWSZIVMMF-UHFFFAOYSA-N, AKOS000263142, 3-(1-Benzylindol-3-yl)propionic Acid, AS-80348, CS-0337366, E85505

Application

3-(1-Benzyl-1H-indol-3-yl)propanoic acid is primarily used as a key synthetic intermediate in the development of indole-based pharmaceuticals and bioactive molecules. Researchers employ this compound in the study of serotonin receptor modulators due to its structural similarity to endogenous indoleamines. It also serves as a precursor for fluorescent probes and peptidomimetics in biochemical assays. Additionally, its benzyl-protected indole core is useful in protecting-group strategies during multi-step organic syntheses.

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