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7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline - 95%, high purity , CAS No.1375108-46-5
Basic Description
Synonyms
DTXSID60739783 | AS-55542 | MFCD18205965 | 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline | RJXJTNJULNSBLM-UHFFFAOYSA-N | 1375108-46-5 | EN300-7416757 | CS-D1321 | 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline | 7-(4,4,5,5-TETRAMETHYL-1,3
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
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Pyrimidine - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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.
Names and Identifiers
IUPAC Name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
INCHI
InChI=1S/C14H17BN2O2/c1-13(2)14(3,4)19-15(18-13)11-6-5-10-8-16-9-17-12(10)7-11/h5-9H,1-4H3
InChIKey
RJXJTNJULNSBLM-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=NC=C3C=C2
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=NC=C3C=C2
PubChem CID
69093306
Molecular Weight
256.11
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.110 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
256.138 Da
Monoisotopic Mass
256.138 Da
Topological Polar Surface Area
44.200 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
332.000
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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