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2-(Diethoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - >97%, high purity , CAS No.1218790-41-0
Basic Description
Synonyms
1218790-41-0 | 2-(Diethoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 2-Diethoxymethylpyridine-3-boronic acid pinacol ester | 2-(1,1-DIETHOXYMETHYL)PYRIDINE-3-BORONIC ACID PINACOL ESTER | DTXSID90585937 | MFCD08669567 | AKOS015950279 | FD10337 | Pyr
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organoboron compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Acetal - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organoboron compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five 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.
Names and Identifiers
IUPAC Name
2-(diethoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
INCHI
InChI=1S/C16H26BNO4/c1-7-19-14(20-8-2)13-12(10-9-11-18-13)17-21-15(3,4)16(5,6)22-17/h9-11,14H,7-8H2,1-6H3
InChIKey
OILOYJRCMVEUOC-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C(OCC)OCC
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C(OCC)OCC
PubChem CID
16414176
Molecular Weight
307.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
307.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
307.195 Da
Monoisotopic Mass
307.195 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
342.000
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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