tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate - ≥98% , CAS No.1312713-37-3

CAS: 1312713-37-3 Cat. No.: T586966 Molecular Weight: 311.2 EC Number: 961-467-2 PubChem CID: 71700020

GRADE & PURITY ≥98%

Synonyms

W13789 | 1-Boc-piperidine-3-boronic acid pinacol ester | MFCD25509459 | t-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate | 1312713-37-3 | 1-Boc-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine | SY269463 | DTXSID108

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

W13789 | 1-Boc-piperidine-3-boronic acid pinacol ester | MFCD25509459 | t-Butyl 3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)piperidine-1-carboxylate | 1312713-37-3 | 1-Boc-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)piperidine | SY269463 | DTXSID108

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2CCCN(C2)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
• InChIKey: XIVFJLQPKAVJRP-UHFFFAOYSA-N
• INCHI: 1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCCN(C2)C(=O)OC(C)(C)C
• PubChem CID: 71700020
• Molecular Weight: 311.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Alkylborane - Monoalkylborane - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 311.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 311.227 Da
• Monoisotopic Mass: 311.227 Da
• Topological Polar Surface Area: 48.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 414.000
• 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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