Home Cart Sign in  
Chemical Structure| 58164-02-6 Chemical Structure| 58164-02-6

Structure of 58164-02-6

Chemical Structure| 58164-02-6

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 58164-02-6 ]

CAS No. :58164-02-6
Formula : C10H13I
M.W : 260.11
SMILES Code : CC(C1=CC(I)=CC=C1)(C)C
MDL No. :MFCD01764504
Boiling Point : No data available
InChI Key :DZOSRDFXDIXEEL-UHFFFAOYSA-N
Pubchem ID :637958

Safety of [ 58164-02-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 58164-02-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 58164-02-6 ]

[ 58164-02-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5369-19-7 ]
  • [ 58164-02-6 ]
YieldReaction ConditionsOperation in experiment
80% EXAMPLE 100; A. Preparation of l-tert-Butyl-3-iodo-benzene from 3- (tert- Butyl) aniline; 3- (tert-Butyl) aniline (Oakwood, 6.0 g, 40.21mmol) was slowly added to a cold solution of 12 N HC1 (24. 5 mL) while stirring over an ice/acetone bath in a three-neck round bottom flask equipped with a thermometer. A 2.9M solution of sodium nitrite (16 mL) was added via addition funnel to the reaction flask at a rate so as maintain the temperature below 2°C. The solution was stirred for 30 min. prior to being added to a reaction flask containing a 4.2M solution of potassium iodide (100 mL). The reaction mixture was allowed to stir overnight while warming to RT. The mixture was then extracted with a hexane/ether solution (1: 1) followed by washing with H20 (2X), 0.2N citric acid (2X) and sat. NaCl. The organic phase was separated, dried (Na2SO4) and concentrated under reduced pressure. The residue was purified by flash chromatography (100percent Hexane) to give the desired iodo intermediate (8.33g, 80percent)
80% 3-(fert-Butyl) aniline (Oakwood, 6.0 g, 40.21 mmol) was slowly added to a cold solution of 12 N HCI (24. 5 mL) while stirring over an ice/acetone bath in a three-neck round bottom flask equipped with a thermometer. A 2.9 M solution of sodium nitrite (16 mL) was added via addition funnel to the reaction flask at a rate so as maintain the temperature below 2 C. The solution was stirred for 30 min prior to being added to a reaction flask containing a 4.2 M solution of potassium iodide (100 mL). The reaction mixture was allowed to stir overnight while warming to RT. The mixture was then extracted with a hexane/ether solution (1: 1) followed by washing with H20 (2X), 0.2N citric acid (2X) and sat. NaCl. The organic phase was separated, dried (Na2SO4) and concentrated under reduced pressure. The residue was purified by flash chromatography (100percent Hexane) to give the desired iodo intermediate (8. 33g, 80percent) : H NMR (CDCI3, 300 MHz) 8 1.34 (s, 9H), 7.07 (t, J = 8. 0 Hz, 1H), 7.39 (d, J = 8.0 Hz, 1H), 7.55 (d, J = 8.0 Hz, 1H), 7.77 (t, J = 2.0 Hz, 1 H).
80% 3- (tert-Butyl) aniline (Oakwood, 6.0 g, 40.21 mmol) was slowly added to a cold solution of 12 N HCI (24.5 mL) while stirring over an ice/acetone bath in a three-neck round bottom flask equipped with a thermometer. A 2.9 M solution of sodium nitrite (16 mL) was added via addition funnel to the reaction flask at a rate so as maintain the temperature below 2 °C. The solution was stirred for 30 min. prior to being added to a reaction flask containing a 4.2 M solution of potassium iodide (100 mL). The reaction mixture was allowed to stir overnight while warming to room temperature. The mixture was then extracted with a hexane/ether solution (1: 1) followed by washing with H20 (2X), 0.2 N citric acid (2X) and saturated NaCI. The organic phase was separated, dried (sodium sulfate) and concentrated under reduced pressure. The residue was purified by flash chromatography (100percent Hexane) to give the desired iodo intermediate (8.33g, 80percent) : 1H NMR (CDCI3, 300 MHz) 8 1.34 (s, 9H), 7.07 (t, J = 8.0 Hz, 1 H), 7.39 (d, J = 8.0 Hz, 1H), 7.55 (d, J = 8.0 Hz, 1 H), 7.77 (t, J = 2.0 Hz, 1 H).
80% 3- (tert-Butyl) aniline (Oakwood, 6.0 g, 40.21 mmol) was slowly added to a cold solution of 12 N HCI (24.5 mL) while stirring over an ice/acetone bath in a three-neck round-bottom flask equipped with a thermometer. A 2.9M solution of sodium nitrite (16 mL) was added via addition funnel to the reaction flask at a rate so as maintain the temperature below 2 °C. The solution was stirred for 30 min. prior to being added to a reaction flask containing a 4.2M solution of potassium iodide (100 mL). The reaction mixture was allowed to stir overnight while warming to room temperature. The mixture was then extracted with a hexane/ether solution (1: 1) followed by washing with H20 (2X), 0.2 N citric acid (2X) and saturated NaCI. The organic phase was separated, dried (sodium sulfate) and concentrated under reduced pressure. The residue was purified by flash chromatography (100percent Hexane) yielding the desired iodo intermediate (8.33 g, 80percent) ; H NMR (CDCI3, 300 MHz) 8 1.34 (s, 9H), 7.07 (t, J = 8.0 Hz, 1H), 7.39 (d, J = 8.0 Hz, 1H), 7.55 (d, J = 8.0 Hz, 1 H), 7.77 (t, J = 2.0 Hz, 1 H).
80% 3-(teff-butyl) aniline (Oakwood, 6.0 g, 40.21 mmol) was slowly added to a cold solution of 12 N HCI (24.5 mL) while stirring over an ice/acetone bath in a three-neck round bottom flask equipped with a thermometer. A 2.9 M solution of sodium nitrite (16 mL) was added via addition funnel to the reaction flask at a rate so as maintain the temperature below 2 °C. The solution was stirred for 30 min prior to being added to a reaction flask containing a 4.2 M solution of potassium iodide (100 mL). The reaction mixture was allowed to stir overnight while warming to RT. The mixture was then extracted with a hexane/ether solution (1: 1) followed by washing with H20 (2X), 0.2 N citric acid (2X) and sat. NaCl. The organic phase was separated, dried (Na2SO4) and concentrated under reduced pressure. The residue was purified by flash chromatography (100percent Hexane) to give the desired iodo intermediate (8.33g, 80percent) : H NMR (CDCI3, 300 MHz) 8 1.34 (s, 9H), 7.07 (t, J = 8.0 Hz, 1 H), 7.39 (d, J = 8.0 Hz, 1H), 7.55 (d, J = 8.0 Hz, 1 H), 7.77 (t, J = 2.0 Hz, 1H).

 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 58164-02-6 ]

Aryls

Chemical Structure| 19099-56-0

A311285 [19099-56-0]

1-Iodo-3-isopropylbenzene

Similarity: 0.96

Chemical Structure| 134080-67-4

A103589 [134080-67-4]

Tetrakis(4-iodophenyl)methane

Similarity: 0.93

Chemical Structure| 17356-09-1

A798482 [17356-09-1]

1-Iodo-4-isopropylbenzene

Similarity: 0.92

Chemical Structure| 5122-20-3

A637069 [5122-20-3]

5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

Similarity: 0.86

Chemical Structure| 25309-64-2

A165816 [25309-64-2]

1-Ethyl-4-iodobenzene

Similarity: 0.85

Iodides

Chemical Structure| 19099-56-0

A311285 [19099-56-0]

1-Iodo-3-isopropylbenzene

Similarity: 0.96

Chemical Structure| 134080-67-4

A103589 [134080-67-4]

Tetrakis(4-iodophenyl)methane

Similarity: 0.93

Chemical Structure| 17356-09-1

A798482 [17356-09-1]

1-Iodo-4-isopropylbenzene

Similarity: 0.92

Chemical Structure| 5122-20-3

A637069 [5122-20-3]

5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

Similarity: 0.86

Chemical Structure| 25309-64-2

A165816 [25309-64-2]

1-Ethyl-4-iodobenzene

Similarity: 0.85