| Identification | More | [Name]
1-TERT-BUTYL-3-IODOBENZENE | [CAS]
35779-04-5 | [Synonyms]
1-IODO-3-TERT-BUTYLBENZENE
1-TERT-BUTYL-3-IODOBENZENE
1-TERT-BUTYL-4-IODOBENZENE
2-(4'-IODOPHENYL)-2-METHYLPROPANE
BUTTPARK 44\03-82
1-tertiary butyl-4-iodo benzene
4-iodo-tert-butylbenzene
1-Iodo-4-tert-butylbenzene
4-tert-Butyl-1-iodobenzene
4-tert-Butylphenyl iodide | [EINECS(EC#)]
609-176-9 | [Molecular Formula]
C10H13I | [MDL Number]
MFCD01764504 | [Molecular Weight]
260.11 | [MOL File]
35779-04-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear orange to red liquid | [Melting point ]
78°C (estimate) | [Boiling point ]
140 °C | [density ]
1.468 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.57(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to lump to clear liquid | [color ]
White or Colorless to Yellow | [Specific Gravity]
1.468 | [Sensitive ]
Light Sensitive | [BRN ]
1931810 | [InChI]
InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 | [InChIKey]
WQVIVQDHNKQWTM-UHFFFAOYSA-N | [SMILES]
C1(C(C)(C)C)=CC=C(I)C=C1 | [CAS DataBase Reference]
35779-04-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Light Sensitive | [HazardClass ]
LIGHT SENSITIVE | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear orange to red liquid | [General Description]
4-tert-Butyliodobenzene is an electron-rich aryl iodide. Heck reaction between 2-methylprop-2-en-1-ol and 4-tert-butyliodobenzene catalyzed by ionic liquids has been studied. It participates in the one-pot Heck-reductive amination reaction pathway during the synthesis of fungicide fenpropimorph. | [Synthesis]
GENERAL METHOD: 4-tert-butylphenylboronic acid (0.067 g, 0.4 mmol), copper powder (0.0052 g, 0.08 mmol), (CF3)2CFI (0.178 g, 0.6 mmol), and DMF (2 mL) were added to a hermetically sealed reaction tube with a rubber stopper. The reaction mixture was stirred at room temperature for 24 hours. Upon completion of the reaction, the resulting suspension was poured into water and extracted with ethyl acetate. The organic layers were combined and dried with anhydrous Na2SO4 and subsequently concentrated to dryness under reduced pressure. The crude product was purified by silica gel fast column chromatography using petroleum ether/ethyl acetate (20:1, v/v) as eluent to afford 1-tert-butyl-4-iodobenzene (0.086 g, 0.35 mmol, 87% yield) as a light yellow solid. | [References]
[1] Journal of Fluorine Chemistry, 2016, vol. 189, p. 59 - 67
[2] Catalysis Communications, 2013, vol. 32, p. 15 - 17
[3] Tetrahedron Letters, 2015, vol. 56, # 9, p. 1122 - 1123 |
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