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3-(t-Butyldimethylsilyloxy)-4-methoxyphenylboronic acid - 98%, high purity , CAS No.900152-53-6
Basic Description
Synonyms
900152-53-6 | 3-(T-BUTYLDIMETHYLSILYLOXY)-4-METHOXYPHENYLBORONIC ACID | [3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]boronic acid | SCHEMBL14721223 | 3-(tert-butyldimethylsilyloxy)-4-methoxyphenylboronic acid | DTXSID30648954 | YENCFJOVWUOWKV-UHFFFAOYSA-N | MFCD11
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Trialkylheterosilanes Boronic acids Organic metalloid salts Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Trialkylheterosilane - Boronic acid derivative - Boronic acid - Organoheterosilane - Organic metalloid salt - Ether - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Organosilicon compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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
[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]boronic acid
INCHI
InChI=1S/C13H23BO4Si/c1-13(2,3)19(5,6)18-12-9-10(14(15)16)7-8-11(12)17-4/h7-9,15-16H,1-6H3
InChIKey
YENCFJOVWUOWKV-UHFFFAOYSA-N
Smiles
B(C1=CC(=C(C=C1)OC)O[Si](C)(C)C(C)(C)C)(O)O
Isomeric SMILES
B(C1=CC(=C(C=C1)OC)O[Si](C)(C)C(C)(C)C)(O)O
PubChem CID
25169829
Molecular Weight
282.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
282.220 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
282.146 Da
Monoisotopic Mass
282.146 Da
Topological Polar Surface Area
58.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
291.000
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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