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1-sec-Butyl-2-methylbenzene, also known as 2-methyl-4-sec-butylbenzene, is an organic compound with the molecular formula C11H16. It is a derivative of benzene, featuring a methyl group at the 2nd carbon and a sec-butyl group at the 1st carbon. This colorless liquid has a density of 0.84 g/cm3 and a boiling point of 195-196°C. It is insoluble in water but soluble in organic solvents. 1-sec-Butyl-2-methylbenzene is used as a chemical intermediate in the synthesis of various compounds, such as pharmaceuticals, agrochemicals, and fragrances. Due to its potential health and environmental risks, it is important to handle 1-sec-Butyl-2-methylbenzene with proper safety measures.

1595-06-8

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1595-06-8 Usage

Physical state

Colorless liquid

Odor

Sweet

Usage

Solvent, production of other chemicals, manufacturing of adhesives, paints, and coatings, fragrance ingredient in perfumes and personal care products

Health hazards

Harmful if swallowed or inhaled in high concentrations, may cause skin and eye irritation

Safety measures

Handle and use with appropriate safety measures in place

Check Digit Verification of cas no

The CAS Registry Mumber 1595-06-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,9 and 5 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1595-06:
(6*1)+(5*5)+(4*9)+(3*5)+(2*0)+(1*6)=88
88 % 10 = 8
So 1595-06-8 is a valid CAS Registry Number.

1595-06-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-butan-2-yl-2-methylbenzene

1.2 Other means of identification

Product number -
Other names 1-Methyl-2-(1-methylpropyl)benzene

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:1595-06-8 SDS

1595-06-8Downstream Products

1595-06-8Relevant academic research and scientific papers

Indium(III) triflate - A catalyst for greener aromatic alkylation reactions

Mack, Ryan,Askins, Grant,Lowry, Jacob,Hurley, Nathan,Reeves, Perry C.

, p. 1262 - 1265 (2014/01/06)

An environmentally friendly method for alkylating aromatic compounds with simple alcohols in the presence of a catalytic amount of indium(III) triflate is reported. Ionic liquids are used as solvents and energy-efficient heating is provided by microwave radiation. Good yields are obtained with benzyl, secondary, and tertiary alcohols. Simple primary alcohols are not effective alkylating agents under these conditions. With tertiary alcohols, activated aromatic compounds such as toluene and anisole must be used to obtain good yields. The catalyst, which is immobilized in a water-insoluble ionic liquid, can be easily recycled without significant loss of activity.

IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF

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Paragraph 00187-00191, (2013/04/25)

The present application, relates to iron bisphenolate complexes and methods of use and synthesis thereof. The iron complexes are prepared from tridentate or tetradentate ligands of Formula I: wherein R1 and R2 are as defined herein. Also provided are methods and processes of using the iron bisphenolate complexes as catalysts in cross-coupling reactions and in controlled radical polymerizations.

Microwave-assisted silica-supported aluminum chloride-catalyzed Friedel-Crafts alkylation

Zupp, Laurine R.,Campanella, Veronica L.,Rudzinski, Diandra M.,Beland, Franois,Priefer, Ronny

, p. 5343 - 5346 (2012/10/30)

Microwave irradiation is a popular method in organic synthesis to achieve high yields in shorter reaction times. This decreases total 'man-hours' in a synthetic setting. Another technique used in organic chemistry to decrease manual manipulations, is solid support reagents. The benefits of this approach is that upon completion of a reaction, a simple filtration can be performed which expedites the work-up and also produces less organic waste. Friedel-Crafts alkylation has been explored using microwave chemistry as well as with solid-supported reagents. In comparison with traditional heating, as well as with AlCl3, superior yields were observed with silica-gel bound aluminum chloride (Si-AlClx) when microwave irradiated for only 5 min.

Catalytic alkylation of aryl Grignard reagents by iron(iii) amine-bis(phenolate) complexes

Qian, Xin,Dawe, Louise N.,Kozak, Christopher M.

experimental part, p. 933 - 943 (2011/04/23)

Reaction of n-propylamino-N,N-bis(2-methylene-4-tert-butyl-6-methylphenol), H2L1, n-propylamino-N,N-bis(2-methylene-4,6-di-tert-butylphenol), H2L2, and benzylamino-N,N-bis(2-methylene-4-tert-butyl-6- methylphenol), H2L3, with anhydrous ferric chloride in the presence of base yields the products, [FeL1(μ-Cl)]2 (1), [FeL2(μ-Cl)]2 (2) and [FeL3(μ-Cl)]2 (3). In the solid state, these complexes exist as chloride-bridged dimers giving distorted trigonal bipyramidal iron(iii) ions. Reaction of H2L1 with FeBr 3, however, results in the formation of a tetrahedral iron(iii) complex possessing two bromide ligands. The amine-bis(phenolate) ligand is bidentate in this complex and bonds to the iron(iii) ion via the phenolate O-donors. The central amine donor is protonated, resulting in a quaternized ammonium fragment and the iron(iii) centre possesses a negative formal charge. As a result, this complex is zwitterionic and formulated as FeBr2L1H (4). Complex 1 is an air-stable, non-hygroscopic, single-component catalyst for C-C cross-coupling of aryl Grignard reagents with primary and secondary alkyl halides, including chlorides. Good to excellent yields of cross-coupled products are obtained in diethyl ether at room temperature. In some cases where low yields are obtained under these conditions, the use of microwave-assisted heating of the reaction mixture can improve yields. The Royal Society of Chemistry 2011.

Synthesis, structure, and C-C cross-coupling activity of (amine)bis(phenolato)iron(acac) complexes

Hasan, Kamrul,Dawe, Louise N.,Kozak, Christopher M.

experimental part, p. 4610 - 4621 (2011/12/03)

A series of (amine)bis(phenolato)iron(III)acac complexes has been prepared and characterized. Reaction of Fe(acac)3 with the diprotonated linear tetradentate proligand N,N′-bis(4,6-di-tert-butyl-2-methylphenol)-N, N′-dimethyl-1,2-diaminoethane, H2[L1], and tripodal tetradentate ligand precursors dimethylaminoethylamino-N,N-bis(2-methylene-4,6- di-tert-butylphenol), H2[L2], dimethylaminoethylamino-N,N-bis(2- methylene-4-methyl-6-tert-butylphenol), H2[L3], 2-methoxyethylamino- N,N-bis(2-methylene-4,6-di-tert-butylphenol), H2[L4], 2-methoxyethylamino-N,N-bis(2-methylene-4-methyl-6-tert-butylphenol), H 2[L5], and 2-methoxyethylamino-N,N-bis(2-methylene-4,6- dimethylphenol), H2[L6], produces the distorted octahedral Fe III complexes [L1]Fe(acac) (1), [L2]Fe(acac) (2), [L3]Fe(acac) (3), [L4]Fe(acac) (4), [L5]Fe(acac) (5), and [L6]Fe(acac) (6). In all of these complexes, the phenolato oxygen atoms are cis-oriented. The paramagnetic Fe III complexes 1-6 were also characterized by UV/Vis and IR spectroscopy, mass spectrometry, cyclic voltammetry, and magnetic measurements. Single crystal X-ray molecular structures have been determined for complexes 1, 2, 3, 5, and the proligand H2[L6]. Preliminary investigations of complexes 1-6 for catalytic cross-coupling reactions of aryl Grignard reagents with cyclic and acyclic secondary alkyl halides and benzyl halides were performed. While the activity for cyclohexyl chlorides and bromides was high, cross-coupling of benzyl halides was moderate and 2-bromo- and 2-chlorobutane gave poor yields of cross-coupled product.

PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE

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Page/Page column 11, (2009/10/06)

A process for preparing organic compounds of the general formula (I) [in-line-formulae]R—R′??(I),[/in-line-formulae] where R is a substituted or unsubstituted aromatic, heteroaromatic, cycloalkenylic or alkenylic radical andR′ is a substituted or unsubstituted alkylic, alkenylic, cycloalkylic or cycloalkenylic radical, by reacting a corresponding compound of the general formula (II) [in-line-formulae]R—X??(II),[/in-line-formulae] where X is chlorine, bromine, iodine, diazonium, mesylate (methanesulphonate), tosylate (p-toluenesulphonate) or triflate (trifluorosutphonate) andR is as defined for formula (I), with a corresponding compound of the general formula (III) [in-line-formulae]R′—Y??(III),[/in-line-formulae] where Y is chlorine, bromine or iodine andR′ is as defined for formula (I), wherein the reaction is carried out in the presence of a) stoichiometric amounts of elemental magnesium, based on the compound of the general formula (II), andb) catalytic amounts of a transition metal compound, based on the compound of the general formula (II), and, if appropriate, c) in the presence of a nitrogen-, oxygen- and/or phosphorus-containing additive in a catalytic or stoichiometric amount, based on the compound of the general formula (II), is described. It is particularly advantageous that the process of the invention is carried out as a one-pot reaction and the organomagnesium compound (Grignard compound) formed in situ as intermediate is not isolated.

Direct cobalt-catalyzed cross-coupling between aryl and alkyl halides

Czaplik, Waldemar Maximilian,Mayer, Matthias,Jacobi Von Wangelin, Axel

experimental part, p. 2931 - 2934 (2010/01/21)

An operationally simple cross-coupling reaction between aryl halides and alkyl halides with high selectivity has been developed. The underlying domino process utilizes CoCl2/Me4-DACH as a catalyst system. The methodology exhibits hig

Iron(III) amine-bis(phenolate) complexes as catalysts for the coupling of alkyl halides with aryl Grignard reagents

Chowdhury, Rajoshree Roy,Crane, Angela K.,Fowler, Candace,Kwong, Philip,Kozak, Christopher M.

, p. 94 - 96 (2008/09/19)

Catalytic cross-coupling of aryl Grignard reagents with primary and secondary alkyl halides bearing β-hydrogens is achieved using Fe(III) amine-bis(phenolate) halide complexes. The Royal Society of Chemistry.

The first general method for palladium-catalyzed Negishi cross-coupling of aryl and vinyl chlorides: Use of commercially available Pd(P(t-Bu)3)2 as a catalyst

Dai,Fu

, p. 2719 - 2724 (2007/10/03)

With a single protocol, commercially available Pd(P(t-Bu)3)2 can effect the Negishi cross-coupling of a wide range of aryl and vinyl chlorides with aryl- and alkylzinc reagents. The process tolerates nitro groups, and it efficiently generates sterically hindered biaryls. In addition, a high turnover number (>3000) can be achieved.

Synthesis and transformations of metallacycles 20.* Cp2ZrCl2-catalyzed cycloalumination of arylolefins with AlEt3

Ibragimov,Khafizova,Satenov,Khalilov,Yakovleva,Rusakov,Dzhemilev

, p. 1574 - 1580 (2007/10/03)

The Cp2ZrCl2-catalyzed reaction of arylolefins (styrene, o-and p-methylstyrenes, trans-stilbene, 1,4-diphenyl-1,3-butadiene) with AlEt3 resulting in mono-and disubstituted alumacyclopentanes and substituted alumacyclopropa

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