3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine - ≥98% , CAS No.1111637-91-2

CAS: 1111637-91-2 Cat. No.: M586380 Peso molecular: 234.11

GRADE & PURITY ≥98%

Synonyms

(6-AMINO-5-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER | DTXSID40681918 | 6-AMINO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER | 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine | SY269719 | J-512862 | 2-Amino-3-methylpyridine-5-

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

Product Application:

It is used as primary and secondary pharmaceutical intermediate.

Specifications

Sinónimos

(6-AMINO-5-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER | DTXSID40681918 | 6-AMINO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER | 3-Methyl-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-amine | SY269719 | J-512862 | 2-Amino-3-methylpyridine-5-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771096
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771096
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C
• IUPAC Name: 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• InChIKey: BWEOUBYDXFBFMA-UHFFFAOYSA-N
• INCHI: 1S/C12H19BN2O2/c1-8-6-9(7-15-10(8)14)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3,(H2,14,15)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C
• Peso molecular: 234.11
• Reaxy-Rn: 18974238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18974238&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Methylpyridines Imidolactams Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Methylpyridine - Imidolactam - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Punto de fusión (°C): 128-130°
• Peso molecular: 234.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.154 Da
• Monoisotopic Mass: 234.154 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 280.000
• 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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