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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide - ≥98% , CAS No.36499-49-7
Synonyms
SCHEMBL1370527 | 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one | SY054491 | 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide | AKOS015850817 | 1(3h)-isobenzofuranone,3-(4-(diethyla
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
SCHEMBL1370527 | 3-[4-(diethylamino)-2-methylphenyl]-3-(1, 2-dimethyl-1H-indol-3-yl)-1, 3-dihydro-2-benzofuran-1-one | SY054491 | 3-(1, 2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide | AKOS015850817 | 1(3h)-isobenzofuranone, 3-(4-(diethyla
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488200068 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488200068 Canonical Smiles CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)C)C)C IUPAC Name 3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one InChIKey LCGJEUAHECYSFW-UHFFFAOYSA-N INCHI 1S/C29H30N2O2/c1-6-31(7-2)21-16-17-24(19(3)18-21)29(25-14-10-8-12-22(25)28(32)33-29)27-20(4)30(5)26-15-11-9-13-23(26)27/h8-18H,6-7H2,1-5H3 Isomeric SMILES CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)C)C)C Molecular Weight 438.57 Reaxy-Rn 1182801 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1182801&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzofurans Subclass Benzofuranones Intermediate Tree Nodes Not available Direct Parent Benzofuranones Alternative Parents Phthalides 3-alkylindoles N-alkylindoles Aminotoluenes Dialkylarylamines Aniline and substituted anilines N-methylpyrroles Heteroaromatic compounds Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 3-alkylindole - Phthalide - N-alkylindole - Isobenzofuranone - Benzofuranone - Indole or derivatives - Isocoumaran - Indole - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Toluene - N-methylpyrrole - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 217 °C Molecular Weight 438.600 g/mol XLogP3 6.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 438.231 Da Monoisotopic Mass 438.231 Da Topological Polar Surface Area 34.500 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 708.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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