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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Boc-(+/-)-trans-4-(3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid - ≥95% , CAS No.301226-53-9
Synonyms
MFCD06659258 | trans-1-(tert-Butoxycarbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid | Boc-(+/-)-trans-4-(3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, AldrichCPR | DTXSID90660814 | rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(3-fluorophenyl)pyrroli
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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
MFCD06659258 | trans-1-(tert-Butoxycarbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid | Boc-(+/-)-trans-4-(3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, AldrichCPR | DTXSID90660814 | rac-(3R, 4S)-1-[(tert-butoxy)carbonyl]-4-(3-fluorophenyl)pyrroli
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=CC=C2)F IUPAC Name (3R,4S)-4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid InChIKey NUVNFNVJYJQLRA-OLZOCXBDSA-N INCHI 1S/C16H20FNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-5-4-6-11(17)7-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m1/s1 Isómeros SMILES CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C2=CC(=CC=C2)F Peso molecular 309.3 Reaxy-Rn 44227570 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44227570&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 Pyrrolidines Subclass Phenylpyrrolidines Intermediate Tree Nodes Not available Direct Parent Phenylpyrrolidines Alternative Parents Pyrrolidine carboxylic acids Fluorobenzenes Aryl fluorides Pyrroles Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 3-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrrole - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 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 309.330 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 309.138 Da Monoisotopic Mass 309.138 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 434.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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
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