3,5-Dimethylphenylboronic Acid - CAS 172975-69-8
Catalog: |
BB012875 |
Product Name: |
3,5-Dimethylphenylboronic Acid |
CAS: |
172975-69-8 |
Synonyms: |
(3,5-dimethylphenyl)boronic acid; (3,5-dimethylphenyl)boronic acid |
IUPAC Name: | (3,5-dimethylphenyl)boronic acid |
Description: | 3,5-Dimethylphenylboronic acid (DMPBA) can be used as: A reactant in the palladium-catalyzed Suzuki coupling reactions; A co-extractant in the combination with modified Aliquat 336 for the extraction of xylose, glucose, and fructose from aqueous solutions; A reactant to prepare penultimate methyl ester. |
Molecular Weight: | 149.98 |
Molecular Formula: | C8H11O2B |
Canonical SMILES: | B(C1=CC(=CC(=C1)C)C)(O)O |
InChI: | InChI=1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3 |
InChI Key: | DJGHSJBYKIQHIK-UHFFFAOYSA-N |
Boiling Point: | 312.7 °C at 760 mmHg |
Melting Point: | 261-265 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.07 g/cm3 |
MDL: | MFCD00185689 |
LogP: | -0.01680 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113511970-A | Synthetic method of aryl-substituted alkyne | 20210610 |
CN-113201027-A | Metal complex and application thereof | 20210520 |
CN-113214326-A | Metal complex, organic electroluminescent device and application | 20210520 |
CN-113116744-A | Active peptide skin care product capable of improving skin pigmentation and preparation process thereof | 20210319 |
KR-20210031670-A | Organic light emitting device | 20210312 |
PMID | Publication Date | Title | Journal |
21588041 | 20100626 | 1,3-Bis(3,5-dimethyl-phen-yl)-5-methyl-benzene | Acta crystallographica. Section E, Structure reports online |
16555842 | 20060330 | Synthesis of a sterically crowded atropisomeric 1,8-diacridylnaphthalene for dual-mode enantioselective fluorosensing | The Journal of organic chemistry |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0852098 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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