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1-Hexyl-3-methylbenzene is an organic compound with the molecular formula C13H20. It is a derivative of benzene, featuring a methyl group (CH3) at the 3rd carbon position and a hexyl chain (C6H13) attached to the 1st carbon position. This aromatic hydrocarbon is characterized by its unique structure, which consists of a benzene ring with an alkyl chain extending from one of its carbon atoms. 1-Hexyl-3-methylbenzene is a colorless liquid with a distinct aromatic odor and is insoluble in water but soluble in organic solvents. It is primarily used as a solvent, fragrance component, and intermediate in the synthesis of various chemicals. Due to its chemical structure, it exhibits low reactivity and is relatively stable under normal conditions.

1595-03-5

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1595-03-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1595-03-5 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 3 respectively.
Calculate Digit Verification of CAS Registry Number 1595-03:
(6*1)+(5*5)+(4*9)+(3*5)+(2*0)+(1*3)=85
85 % 10 = 5
So 1595-03-5 is a valid CAS Registry Number.

1595-03-5SDS

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-hexyl-3-methylbenzene

1.2 Other means of identification

Product number -
Other names 1-Methyl-3-hexyl-benzol

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:1595-03-5 SDS

1595-03-5Downstream Products

1595-03-5Relevant academic research and scientific papers

Relevance of Single-Transmetalated Resting States in Iron-Mediated Cross-Couplings: Unexpected Role of σ-Donating Additives

Rousseau, Lidie,Touati, Nadia,Binet, Laurent,Thuéry, Pierre,Lefèvre, Guillaume

, p. 7991 - 7997 (2021/05/26)

Control of the transmetalation degree of organoiron(II) species is a critical parameter in numerous Fe-catalyzed cross-couplings to ensure the success of the process. In this report, we however demonstrate that the selective formation of a monotransmetalated FeII species during the catalytic regime counterintuitively does not alone ensure an efficient suppression of the nucleophile homocoupling side reaction. It is conversely shown that a fine control of the transmetalation degree of the transient FeIII intermediates obtained after the activation of alkyl electrophiles by a single-electron transfer (SET), achievable using σ-donating additives, accounts for the selectivity of the cross-coupling pathway. This report shows for the first time that both coordination spheres of FeII resting states and FeIII short-lived intermediates must be efficiently tuned during the catalytic regime to ensure high coupling selectivities.

Iron-catalyzed alkylations of aryl sulfamates and carbamates

Silberstein, Amanda L.,Ramgren, Stephen D.,Garg, Neil K.

supporting information; experimental part, p. 3796 - 3799 (2012/08/28)

The alkylation of aryl sulfamates and carbamates using iron catalysis is reported. The method constructs sp2-sp3 carbon-carbon bonds and provides synthetically useful yields across a range of substrates (>35 examples). The directing group ability of sulfamates and carbamates, accompanied by their low reactivity toward conventional cross-couplings, renders these substrates useful for the synthesis of polyfunctionalized arenes.

Regioselective arene functionalization: Simple substitution of carboxylate by alkyl groups

Krueger, Tobias,Vorndran, Katja,Linker, Torsten

experimental part, p. 12082 - 12091 (2010/05/17)

Arenes with various alkyl side-chains were synthesized in high yields and excellent regioselectivities. Starting from toluic and naphthoic acids, the carboxylate group was conveniently substituted by alkyl halides by Birch reduction and subsequent decarbonylation. The method is characterized by inexpensive starting materials and reagents, and methylation of arenes was realized. Besides simple alkyl substituents, the scope of arene functionalization was extended by benzyl, fluoro, amino, and ester groups. We were able to control the alkylation of 1-naphthoic acid during Birch reduction by the addition of tert-butanol. This allowed the regioselective synthesis of mono and bis-substituted naphthalenes from the same starting material.

Gold-catalyzed synthesis of 1,3-disubstituted benzenes through tandem allylation/cyclization reaction of alkynals

Bhunia, Sabyasachi,Abu Sohel, Shariar Md.,Yang, Chao-Chin,Lush, Shie-Fu,Shen, Fwu-Ming,Liu, Rai-Shung

experimental part, p. 566 - 570 (2009/06/05)

Treatment of alkynals with 2-substituted allylsilanes and PPh3AuCl/AgOTf (5/3 mol%) catalyst led to formation of 1,3-disubstituted benzenes efficiently. This reaction sequence comprises an initial allylation of aldehyde, followed by cycloisomerization of enynes; PPh3AuOTf is active in both steps.

Integrated chemical process: One-pot aromatization of cyclic enones by the double elimination methodology

Orita, Akihiro,Yaruva, Jayamma,Otera, Junzo

, p. 2267 - 2270 (2007/10/03)

A variety of aromatic hydrocarbons bearing multiple alkyl substituents are accessible with perfect regiocontrol in a one-pot reaction starting from cyclo-hexenones and their aromatic analogues [Eq. (1)]. The present methodology can be further extended to the synthesis of polycyclic aromatic hydrocarbons. The drawbacks encountered in the Friedel-Crafts reaction are resolved since the reaction proceeds under basic conditions.

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