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| | 1-Bromo-4-tert-butylbenzene Basic information |
| | 1-Bromo-4-tert-butylbenzene Chemical Properties |
| Melting point | 13-16 °C(lit.) | | Boiling point | 80-81 °C2 mm Hg(lit.) | | density | 1.229 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.533(lit.) | | Fp | 97 °C | | storage temp. | Sealed in dry,Room Temperature | | form | Liquid | | color | Clear colorless to slightly yellow | | Specific Gravity | 1.229 | | Water Solubility | Insoluble in water. | | BRN | 1859117 | | InChI | InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 | | InChIKey | XHCAGOVGSDHHNP-UHFFFAOYSA-N | | SMILES | C1(Br)=CC=C(C(C)(C)C)C=C1 | | CAS DataBase Reference | 3972-65-4(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1-bromo-4-(1,1-dimethylethyl)-(3972-65-4) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 23-24/25-37/39-26 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29036990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2 |
| | 1-Bromo-4-tert-butylbenzene Usage And Synthesis |
| Chemical Properties | clear colorless to slightly yellow liquid | | Uses | 1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7). It undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents. | | General Description | 1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents. | | Synthesis | Iron powder (0.03 mmol) was added to a solution of tert-butylbenzene (1.0 mmol) in dichloromethane (0.15 mL) at 0°C and under argon protection. Bromine (1.05 mmol) was added slowly and the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the reaction mixture was washed with 1 M NaOH solution and subsequently extracted with dichloromethane (3×). The organic phases were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was purified by distillation under reduced pressure (about 100 °C, 120 Pa) to give a colorless oily liquid in 80% yield. | | References | [1] Tetrahedron Letters, 2003, vol. 44, # 30, p. 5747 - 5750
[2] RSC Advances, 2014, vol. 4, # 92, p. 51016 - 51021
[3] Bulletin of the Chemical Society of Japan, 1989, vol. 62, # 2, p. 439 - 443
[4] Journal of Organic Chemistry, 1988, vol. 53, # 23, p. 5545 - 5547
[5] Russian Journal of General Chemistry, 2010, vol. 80, # 3, p. 451 - 454 |
| | 1-Bromo-4-tert-butylbenzene Preparation Products And Raw materials |
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