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411205

4-tert-Butyliodobenzene

Name: 4-<I>tert</I>-Butyliodobenzene
Brand: ALDRICH

98%

Synonym(s):

1-tert-Butyl-4-iodobenzene

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About This Item

Linear Formula:

(CH₃)₃CC₆H₄I

CAS Number:

35779-04-5

Molecular Weight:

260.11

NACRES:

NA.22

PubChem Substance ID:

24865734

UNSPSC Code:

12352100

MDL number:

MFCD00052339

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.57 (lit.)

bp

116-118 °C/9 mmHg (lit.)

density

1.468 g/mL at 25 °C (lit.)

functional group

iodo

SMILES string

CC(C)(C)c1ccc(I)cc1

InChI

1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChI key

WQVIVQDHNKQWTM-UHFFFAOYSA-N

Description

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.

pictograms

GHS07

signalword

Warning

hcodes

H319

pcodes

P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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One-pot multistep synthetic strategies for the production of fenpropimorph using an ionic liquid solvent.

Forsyth SA, et al.

Organic Process Research & Development, 10(1), 94-102 (2006)

Functionalised ionic liquids: synthesis of ionic liquids with tethered basic groups and their use in Heck and Knoevenagel reactions.