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| | 3,5-Di-tert-butyl-O-benzoquinone Basic information |
| Product Name: | 3,5-Di-tert-butyl-O-benzoquinone | | Synonyms: | 3,5-di-tert-Butyl-ortho-benzoquinone;o-Benzoquinone, 3,5-di-tert-butyl-;Dibutylbenzoquinone;3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-;3,5-Di-tert-butylbenzoquinone, 98+%;3,5-Di-tert-butyl-1,2-benzenedione;3,5-Ditert-butyl-3,5-cyclohexadiene-1,2-dione;4,6-Ditert-butyl-3,5-cyclohexadiene-1,2-dione | | CAS: | 3383-21-9 | | MF: | C14H20O2 | | MW: | 220.31 | | EINECS: | 222-189-0 | | Product Categories: | Anthraquinones, Hydroquinones and Quinones;C13 to C14;Carbonyl Compounds;Ketones | | Mol File: | 3383-21-9.mol |  |
| | 3,5-Di-tert-butyl-O-benzoquinone Chemical Properties |
| Melting point | 112-114 °C(lit.) | | Boiling point | 321.25°C (rough estimate) | | density | 1.0106 (rough estimate) | | refractive index | 1.4970 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Sparingly), Methanol (Very Slightly) | | form | Solid | | color | Very Dark Green to Very Dark Brown | | BRN | 2047944 | | Stability: | Stable. Incompatible with reducing agents, strong oxidizing agents. | | InChI | InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3 | | InChIKey | NOUZOVBGCDDMSX-UHFFFAOYSA-N | | SMILES | C1(=O)C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O | | CAS DataBase Reference | 3383-21-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 22-24/25 | | WGK Germany | 3 | | HS Code | 29146990 | | Storage Class | 11 - Combustible Solids |
| | 3,5-Di-tert-butyl-O-benzoquinone Usage And Synthesis |
| Chemical Properties | dark red crystals or powder | | Uses | 4,6-Di-tert-butyl-1,2-benzoquinone is a Ortho-Quinone derivative is know to possess a number of biological properties such as antitumoral, antimicrobacterial and anti-cardiovascular disease. | | Uses | 3,5-Di-tert-butyl-o-benzoquinone was used in the preparation of benzoxazoles derivative ligands. It was also used in the preparation of 1,4-benzodioxines via hetero Diels Alder reaction with acyclic dienes. | | Synthesis Reference(s) | Tetrahedron, 44, p. 6397, 1988 DOI: 10.1016/S0040-4020(01)89827-6
Tetrahedron Letters, 23, p. 957, 1982 DOI: 10.1016/S0040-4039(00)86993-2 | | General Description | Reactions of the phosphinidene-bridged complexes [Fe2(η5-C5H5)2(μ-PR)(μ-CO)(CO)2] (R = Cy, Ph) with 3,5-di-tert-butyl-o-benzoquinone has been reported. | | Purification Methods | It can be recrystallised from MeOH or pet ether, and forms fine red plates or rhombs. [Flaig et al. Justus Liebigs Ann Chem 597 196 1955, IR: Ley & Müller Chem Ber 89 1402 1956, Beilstein 7 IV 2113.] |
| | 3,5-Di-tert-butyl-O-benzoquinone Preparation Products And Raw materials |
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