4-tert-Butylphenylboronic Acid - CAS 123324-71-0
Catalog: |
BB005661 |
Product Name: |
4-tert-Butylphenylboronic Acid |
CAS: |
123324-71-0 |
Synonyms: |
(4-tert-butylphenyl)boronic acid; (4-tert-butylphenyl)boronic acid |
IUPAC Name: | (4-tert-butylphenyl)boronic acid |
Description: | Cross-coupling building block used in synthesis of tetracycline derivatives. |
Molecular Weight: | 178.04 |
Molecular Formula: | C10H15O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(C)(C)C)(O)O |
InChI: | InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3 |
InChI Key: | MNJYZNVROSZZQC-UHFFFAOYSA-N |
Boiling Point: | 296.7 °C at 760 mmHg |
Melting Point: | 191-196 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.02 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD01009697 |
LogP: | 0.66390 |
GHS Hazard Statement: | H302 (33.33%): 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-112687878-A | Electrochemical device and electronic device | 20201225 |
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PMID | Publication Date | Title | Journal |
21823586 | 20111007 | Air-stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) systems for C-C/N couplings: insight into the structure-activity relationship and catalyst activation pathway | The Journal of organic chemistry |
15007413 | 20040321 | 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions | Organic & biomolecular chemistry |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.1165099 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.1165099 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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