N-Boc-2,5-dihydro-1H-pyrrole-3-boronic acid pinacol ester - ≥97% , CAS No.212127-83-8

CAS: 212127-83-8 Cat. No.: T175716 Peso molecular: 295.19 Número EC: 837-853-0 PubChem CID: 15836637

GRADE & PURITY ≥97%

Synonyms

DTXSID90578748 | 1-Boc-2,5-dihydropyrrole-3-boronic Acid Pinacol Ester | SY008437 | 1-BOC-2,5-Dihydro-1H-pyrrole-3-boronic acid pinacol ester | AM85103 | 2,5-Dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylic Acid 1,1-Dimethy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID90578748 | 1-Boc-2, 5-dihydropyrrole-3-boronic Acid Pinacol Ester | SY008437 | 1-BOC-2, 5-Dihydro-1H-pyrrole-3-boronic acid pinacol ester | AM85103 | 2, 5-Dihydro-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-pyrrole-1-carboxylic Acid 1, 1-Dimethy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198986
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198986
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CCN(C2)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate
• InChIKey: OIZXJJIHVIYNKZ-UHFFFAOYSA-N
• INCHI: 1S/C15H26BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h8H,9-10H2,1-7H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCN(C2)C(=O)OC(C)(C)C
• PubChem CID: 15836637
• Peso molecular: 295.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolines
      • Subclass Pyrroline carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolines
• Subclass: Pyrroline carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrroline carboxylic acids
• Alternative Parents: Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrroline carboxylic acid - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 295.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 295.195 Da
• Monoisotopic Mass: 295.195 Da
• Topological Polar Surface Area: 48.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 449.000
• 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

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