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· · COA & SDS available for every product · Same-day shipping on in-stock items Diantipyryl methane - ≥98% , CAS No.1251-85-0
Synonyms
MLS000554200 | tert-butyl 5-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate | 1-(tert-butoxycarbonyl)-3-iodoazetidine | 3H-Pyrazol-3-one, 4,4'-methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl- | 4,4'-Methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol
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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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview A substituted pyrazole compound for proteomics research.
Specifications Synonyms
MLS000554200 | tert-butyl 5-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate | 1-(tert-butoxycarbonyl)-3-iodoazetidine | 3H-Pyrazol-3-one, 4, 4'-methylenebis(1, 2-dihydro-1, 5-dimethyl-2-phenyl- | 4, 4'-Methylenebis(1, 2-dihydro-1, 5-dimethyl-2-phenyl-3H-pyrazol
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488186979 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186979 Canonical Smiles CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C IUPAC Name 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one InChIKey QATHNKNPUVVKHK-UHFFFAOYSA-N INCHI 1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3 Isomeric SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C WGK Germany 3 Molecular Weight 406.48 Beilstein 26489 Reaxy-Rn 59702 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59702&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 Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazolones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solubility in dilute HCl almost transparency Melt Point(°C) 179°C Molecular Weight 388.500 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 388.19 Da Monoisotopic Mass 388.19 Da Topological Polar Surface Area 47.100 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 682.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Citations of This Product References 1. Kangquan Qiao, Ying Zeng. (2023) Synergistic inhibition effect of Diantipyrylmethane and Potassium thiocyanate on mild steel corrosion in 1 M HCl solution. International Journal of Electrochemical Science, [PMID: [10.20964/2019.08.57 ]
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