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4,4,5,5-Tetramethyl-2-(naphthalen-1-ylmethyl)-1,3,2-dioxaborolane - 95%, high purity , CAS No.475250-57-8
Basic Description
Synonyms
(1-Naphthylmethyl)boronic acid pinacol ester, 95% | AKOS016007326 | SCHEMBL15547751 | VYMBZQMGIGIALJ-UHFFFAOYSA-N | 1-Naphthylmethylboronic Acid Pinacol Ester | 1-[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]naphthalene | 4,4,5,5-tetramethyl-2-(na
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Monoalkylboranes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthalene - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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
Pubchem Sid
504766214
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766214
IUPAC Name
4,4,5,5-tetramethyl-2-(naphthalen-1-ylmethyl)-1,3,2-dioxaborolane
INCHI
InChI=1S/C17H21BO2/c1-16(2)17(3,4)20-18(19-16)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,12H2,1-4H3
InChIKey
VYMBZQMGIGIALJ-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC3=CC=CC=C32
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC3=CC=CC=C32
PubChem CID
11254165
Molecular Weight
268.16
Reaxy-Rn
9402694
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Toluene
Sensitivity
Moisture Sensitive,Heat Sensitive
Molecular Weight
268.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
268.163 Da
Monoisotopic Mass
268.163 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
337.000
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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