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Iodocyclohexane is an organic compound with the chemical formula C6H11I, featuring a cyclohexane ring with an iodine atom attached. It is a clear light brown liquid and has been studied for its photodissociation dynamics using velocity map imaging. Additionally, it has been investigated in the context of nickel-catalyzed coupling reactions with 1-octyne.

626-62-0

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626-62-0 Usage

Uses

Used in Chemical Synthesis:
Iodocyclohexane is used as a reagent for the demethylation of aryl methyl ethers in dimethylformamide (DMF) under reflux conditions. This application is valuable in the synthesis of various organic compounds, as demethylation is a crucial step in many chemical reactions.
Used in Research and Development:
The photodissociation dynamics of iodocyclohexane have been studied, which contributes to the understanding of its chemical behavior and potential applications in various fields. This knowledge can be applied to improve existing processes or develop new ones that involve iodocyclohexane.
Used in Catalysis:
Iodocyclohexane has been investigated in the context of nickel-catalyzed coupling with 1-octyne. This research is significant for the development of new catalytic processes and the synthesis of complex organic molecules, which can be used in various industries, including pharmaceuticals and materials science.

Synthesis Reference(s)

Journal of the American Chemical Society, 90, p. 808, 1968 DOI: 10.1021/ja01005a056The Journal of Organic Chemistry, 46, p. 2582, 1981 DOI: 10.1021/jo00325a030Tetrahedron Letters, 31, p. 4973, 1990 DOI: 10.1016/S0040-4039(00)97781-5

Check Digit Verification of cas no

The CAS Registry Mumber 626-62-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 6 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 626-62:
(5*6)+(4*2)+(3*6)+(2*6)+(1*2)=70
70 % 10 = 0
So 626-62-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2

626-62-0 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (B24840)  Iodocyclohexane, 98%, stab. with copper   

  • 626-62-0

  • 25g

  • 394.0CNY

  • Detail
  • Alfa Aesar

  • (B24840)  Iodocyclohexane, 98%, stab. with copper   

  • 626-62-0

  • 100g

  • 1058.0CNY

  • Detail
  • Alfa Aesar

  • (B24840)  Iodocyclohexane, 98%, stab. with copper   

  • 626-62-0

  • 500g

  • 4613.0CNY

  • Detail
  • Aldrich

  • (238244)  Iodocyclohexane  98%

  • 626-62-0

  • 238244-25G

  • 813.15CNY

  • Detail
  • Aldrich

  • (238244)  Iodocyclohexane  98%

  • 626-62-0

  • 238244-100G

  • 2,459.34CNY

  • Detail

626-62-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name IODOCYCLOHEXANE

1.2 Other means of identification

Product number -
Other names Cyclohexane, iodo-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:626-62-0 SDS

626-62-0Relevant academic research and scientific papers

Visible-light-mediated multicomponent reaction for secondary amine synthesis

Wang, Xiaochen,Zhu, Binbing,Dong, Jianyang,Tian, Hao,Liu, Yuxiu,Song, Hongjian,Wang, Qingmin

supporting information, p. 5028 - 5031 (2021/05/28)

The widespread presence of secondary amines in agrochemicals, pharmaceuticals, natural products, and small-molecule biological probes has inspired efforts to streamline the synthesis of molecules with this functional group. Herein, we report an operationally simple, mild protocol for the synthesis of secondary amines by three-component alkylation reactions of imines (generated in situ by condensation of benzaldehydes and anilines) with unactivated alkyl iodides catalyzed by inexpensive and readily available Mn2(CO)10. This protocol, which is compatible with a wide array of sensitive functional groups and does not require a large excess of the alkylating reagent, is a versatile, flexible tool for the synthesis of secondary amines.

Visible-Light-Mediated C-I Difluoroallylation with an α-Aminoalkyl Radical as a Mediator

Yue, Fuyang,Dong, Jianyang,Liu, Yuxiu,Wang, Qingmin

supporting information, p. 7306 - 7310 (2021/10/01)

Herein, we report a protocol for direct visible-light-mediated C-I difluoroallylation reactions of α-trifluoromethyl arylalkenes with alkyl iodides at room temperature with an α-aminoalkyl radical as a mediator. The protocol permits efficient functionalization of various α-trifluoromethyl arylalkenes with cyclic and acyclic primary, secondary, and tertiary alkyl iodides and is scalable to the gram level. This mild protocol uses an inexpensive mediator and is suitable for late-stage functionalization of complex natural products and drugs.

A Metal-Free, Photocatalytic Method for Aerobic Alkane Iodination

Anna, Jessica M.,Goldberg, Karen I.,Hirscher, Nathanael A.,Ohri, Nidhi,Schelter, Eric J.,Yang, Qiaomu,Zhou, Jiawang

supporting information, p. 19262 - 19267 (2021/11/30)

Halogenation is an important alkane functionalization strategy, but O2 is widely considered the most desirable terminal oxidant. Here, the aerobic iodination of alkanes, including methane, was performed using catalytic [nBu4N]Cl and light irradiation (390 nm). Up to 10 turnovers of CH3I were obtained from CH4 and air, using a stop-flow microtubing system. Mechanistic studies using cyclohexane as the substrate revealed important details about the iodination reaction. Iodine (I2) serves multiple roles in the catalysis: (1) as the alkyl radical trap, (2) as a precursor for the light absorber, and (3) as a mediator of aerobic oxidation. The alkane activation is attributed to Cl? derived from photofragmentation of the electron donor-acceptor complex of I2 and Cl-. The kinetic profile of cyclohexane iodination showed that aerobic oxidation of I3- to produce I2 in CH3CN is turnover-limiting.

Metal-Free Transfer Hydroiodination of C-C Multiple Bonds

Chen, Weiqiang,Walker, Johannes C. L.,Oestreich, Martin

supporting information, p. 1135 - 1140 (2019/01/11)

The design and a gram-scale synthesis of a bench-stable cyclohexa-1,4-diene-based surrogate of gaseous hydrogen iodide are described. By initiation with a moderately strong Br?nsted acid, hydrogen iodide is transferred from the surrogate onto C-C multiple bonds such as alkynes and allenes without the involvement of free hydrogen iodide. The surrogate fragments into toluene and ethylene, easy-to-remove volatile waste. This hydroiodination reaction avoids precarious handling of hydrogen iodide or hydroiodic acid. By this, a broad range of previously unknown or difficult-to-prepare vinyl iodides can be accessed in stereocontrolled fashion.

Rhodium-Catalyzed Generation of Anhydrous Hydrogen Iodide: An Effective Method for the Preparation of Iodoalkanes

Zeng, Chaoyuan,Shen, Guoli,Yang, Fan,Chen, Jingchao,Zhang, Xuexin,Gu, Cuiping,Zhou, Yongyun,Fan, Baomin

supporting information, p. 6859 - 6862 (2018/10/25)

The preparation of anhydrous hydrogen iodide directly from molecular hydrogen and iodine using a rhodium catalyst is reported for the first time. The anhydrous hydrogen iodide generated was proven to be highly active in the transformations of alkenes, phenyl aldehydes, alcohols, and cyclic ethers to the corresponding iodoalkanes. Therefore, the present methodology not only has provided convenient access to anhydrous hydrogen iodide but also offers a practical preparation method for various iodoalkanes in excellent atom economy.

Aliphatic C-H Bond Iodination by a N-Iodoamide and Isolation of an Elusive N-Amidyl Radical

Artaryan, Alexander,Mardyukov, Artur,Kulbitski, Kseniya,Avigdori, Idan,Nisnevich, Gennady A.,Schreiner, Peter R.,Gandelman, Mark

, p. 7093 - 7100 (2017/07/26)

Contrary to C-H chlorination and bromination, the direct iodination of alkanes represents a great challenge. We reveal a new N-iodoamide that is capable of a direct and efficient C-H bond iodination of various cyclic and acyclic alkanes providing iodoalkanes in good yields. This is the first use of N-iodoamide for C-H bond iodination. The method also works well for benzylic C-H bonds, thereby constituting the missing version of the Wohl-Ziegler iodination reaction. Mechanistic details were elucidated by DFT computations, and the N-centered radical derived from the used N-iodoamide, which is the key intermediate in this process, was matrix-isolated in a solid argon matrix and characterized by UV-vis as well as IR spectroscopy.

A mild and highly chemoselective iodination of alcohol using polymer supported DMAP

Das, Diparjun,H Anal, Jasha Momo,Rokhum, Lalthazuala

, p. 1695 - 1701 (2017/03/08)

The synthesis of organic compounds using polymer supported catalysts and reagents, where the required product is always in solution, has been of great interest in recent years, both in industries and academia especially in pharmaceutical research. Here, a simple and efficient method for conversion of alcohols into their iodides in high yield using polymer supported 4-(Dimethylamino)pyridine (DMAP) is described. Polymer supported DMAP is used in catalytic amount and is recovered and reused several times. Additionally, this method is highly chemoselective. [Figure not available: see fulltext.]

An efficient and selective method for the iodination and bromination of alcohols under mild conditions

Khazdooz, Leila,Zarei, Amin,Aghaei, Hamidreza,Azizi, Ghobad,Gheisari, Mohammad Mehdi

, p. 168 - 171 (2015/12/30)

A straightforward and effective procedure for the conversion of a variety of alcohols into the corresponding alkyl iodides and bromides is described using KX/P2O5 (X = I, Br). The reactions were easily carried out in acetonitrile under mild conditions. Using this method, the selective conversion of benzylic alcohols in the presence of aliphatic alcohols was achieved.

Catalytic Access to Alkyl Bromides, Chlorides and Iodides via Visible Light-Promoted Decarboxylative Halogenation

Candish, Lisa,Standley, Eric A.,Gómez-Suárez, Adrián,Mukherjee, Satobhisha,Glorius, Frank

supporting information, p. 9971 - 9974 (2016/07/19)

Herein is reported the catalytic, visible light-promoted, decarboxylative halogenation (bromination, chlorination, and iodination) of aliphatic carboxylic acids. This operationally-simple reaction tolerates a range of functional groups, proceeds at room temperature, and is redox neutral. By employing an iridium photocatalyst in concert with a halogen atom source, the use of stoichiometric metals such as silver, mercury, thallium, and lead can be circumvented. This reaction grants access to valuable synthetic building blocks from the large pool of cheap, readily available carboxylic acids.

Ruthenium bipyridyl tethered porous organosilica: A versatile, durable and reusable heterogeneous photocatalyst

Jana, Avijit,Mondal, John,Borah, Parijat,Mondal, Sujan,Bhaumik, Asim,Zhao, Yanli

supporting information, p. 10746 - 10749 (2015/06/30)

A versatile heterogeneous photocatalysis protocol was developed by using ruthenium bipyridyl tethered porous organosilica (Ru-POS). The versatility of the Ru-POS catalyst in organo-photocatalysis was explored by (i) oxidative aromatization of Hantzsch ester, (ii) reductive dehalogenation of alkyl halides, and (iii) functional group interconversion (FGI) of alcohols to alkyl halides. This journal is

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