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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 1-Boc-3-benzylpiperidine-3-carboxylate - ≥95% , CAS No.170842-80-5
Synonyms
AKOS005256887 | MFCD11500859 | SCHEMBL6862156 | Ethyl 1-Boc-3-benzylpiperidine-3-carboxylate | 1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1,3-dicarboxylate | 1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate | ZTGGNYIHGLOCJH-UHFFFAOYSA-N | 1-tert
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Why this grade ≥95% 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 Sinónimos
AKOS005256887 | MFCD11500859 | SCHEMBL6862156 | Ethyl 1-Boc-3-benzylpiperidine-3-carboxylate | 1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1, 3-dicarboxylate | 1-tert-Butyl 3-ethyl 3-benzylpiperidine-1, 3-dicarboxylate | ZTGGNYIHGLOCJH-UHFFFAOYSA-N | 1-tert
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488199726 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488199726 Sonrisas canónicas CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)CC2=CC=CC=C2 IUPAC Name 1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1,3-dicarboxylate InChIKey ZTGGNYIHGLOCJH-UHFFFAOYSA-N INCHI 1S/C20H29NO4/c1-5-24-17(22)20(14-16-10-7-6-8-11-16)12-9-13-21(15-20)18(23)25-19(2,3)4/h6-8,10-11H,5,9,12-15H2,1-4H3 Isómeros SMILES CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)CC2=CC=CC=C2 Peso molecular 347.45 Reaxy-Rn 8010113 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8010113&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 Clase Piperidines Subclass Benzylpiperidines Intermediate Tree Nodes Not available Direct Parent 3-benzylpiperidines Alternative Parents Piperidinecarboxylic acids Fatty acid esters Benzene and substituted derivatives Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 3-benzylpiperidine - Piperidinecarboxylic acid - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as 3-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 3-position of a piperidine. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 347.400 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 347.21 Da Monoisotopic Mass 347.21 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 465.000 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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