3-Amino-2-methoxypyridine-5-boronic acid pinacol ester - ≥96% , CAS No.893440-50-1

CAS: 893440-50-1 Cat. No.: A139401 Molecular Weight: 250.11 EC Number: 811-804-3

GRADE & PURITY ≥96%

Synonyms

MFCD12923427 | 2-(5-Amino-6-methoxy-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-Methoxy-3-aminopyridine-5-boronic acid pinacol ester | P1252 | KYYKGOURQXPERA-UHFFFAOYSA-N | AM807691 | 2-METHOXY-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-A

Storage

Room temperature

Shipped In

Normal

Overview

Application

It is used as a pharmaceutical intermediate.

Specifications

Synonyms

MFCD12923427 | 2-(5-Amino-6-methoxy-3-pyridyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 2-Methoxy-3-aminopyridine-5-boronic acid pinacol ester | P1252 | KYYKGOURQXPERA-UHFFFAOYSA-N | AM807691 | 2-METHOXY-5-(TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)PYRIDIN-3-A

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488201996
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201996
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)N
• IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
• InChIKey: KYYKGOURQXPERA-UHFFFAOYSA-N
• INCHI: 1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16-5)15-7-8/h6-7H,14H2,1-5H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)N
• Molecular Weight: 250.11
• Reaxy-Rn: 14567425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14567425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Primary amines Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aminopyridine - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Azacycle - Ether - Organic metalloid salt - Organic metalloid moeity - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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

• Solubility: Slightly soluble in water.
• Melt Point(°C): 144 °C
• Molecular Weight: 250.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 250.149 Da
• Monoisotopic Mass: 250.149 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 296.000
• 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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