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1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl)ethanone - >99%, high purity , CAS No.846023-58-3
Discover 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl)ethanone by Aladdin Scientific in >99% for only $1,533.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
846023-58-3 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde | 5-FORMYLFURAN-3-BORONIC ACID PINACOL ESTER | 2-Formylfuran-4-boronic acid pinacol ester | MFCD06657890 | SCHEMBL4131687 | DTXSID50393530 | YHEMDDZDHYKQGZ-UHFFFAOYSA-N | WIB02358 | AKOS01596
Specifications & Purity
≥99%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Aldehydes
Direct Parent
Aryl-aldehydes
Alternative Parents
Heteroaromatic compounds Furans Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-aldehyde - Heteroaromatic compound - Furan - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic 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
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
INCHI
InChI=1S/C11H15BO4/c1-10(2)11(3,4)16-12(15-10)8-5-9(6-13)14-7-8/h5-7H,1-4H3
InChIKey
YHEMDDZDHYKQGZ-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=COC(=C2)C=O
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=COC(=C2)C=O
Molecular Weight
222.05
Reaxy-Rn
10660706
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10660706&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
222.050 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
222.106 Da
Monoisotopic Mass
222.106 Da
Topological Polar Surface Area
48.700 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
274.000
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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