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Benzenemethanol, 3-chloro-, acetate, also known as 3-chlorobenzyl alcohol acetate, is an organic compound with the chemical formula C9H11ClO2. It is a colorless liquid that is soluble in most organic solvents. Benzenemethanol, 3-chloro-, acetate is derived from benzyl alcohol, where a chlorine atom is attached to the benzene ring at the 3rd position, and an acetate group is attached to the hydroxyl group. It is used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its reactivity and versatility, it plays a significant role in the chemical industry for the production of a wide range of products.

21388-93-2

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21388-93-2 Usage

General Description

Benzenemethanol, 3-chloro-, acetate is a chemical compound that is derived from the esterification of 3-chlorobenzyl alcohol and acetic acid. It is commonly used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. This chemical is also known for its use as a solvent in various industrial processes. Additionally, it may have applications in the production of fragrances, flavors, and dyes. Its properties and reactivity make it a versatile compound for a wide range of chemical reactions and processes.

Check Digit Verification of cas no

The CAS Registry Mumber 21388-93-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,3,8 and 8 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 21388-93:
(7*2)+(6*1)+(5*3)+(4*8)+(3*8)+(2*9)+(1*3)=112
112 % 10 = 2
So 21388-93-2 is a valid CAS Registry Number.

21388-93-2Relevant academic research and scientific papers

An efficient, economical and eco-friendly acylation of alcohols and amines by alum doped nanopolyaniline under solvent free condition

Behera, Satyaranjan,Patra, Braja N.

, (2021/08/06)

We report acylation of alcohols and amines employing acetic acid as an acylating agent in solvent free condition by using alum doped nanopolyaniline (NDPANI) as a catalyst. This environmentally benign method does not use corrosive acid anhydrides and acid chlorides for acylation and does not produce waste product. Also, a non-toxic potash alum was used for doping of polyaniline rather than corrosive acids. The reaction conditions represent an advance over established method not only in omitting the need for expensive catalysts or solvents but also in shortening the reaction time significantly. The advantages of this catalyst are non-hazardous, cheap, reusable, easy to prepare and handling.

Rhodium-Catalyzed Reductive Esterification Using Carbon Monoxide as a Reducing Agent

Ostrovskii, Vladimir S.,Runikhina, Sofiya A.,Afanasyev, Oleg I.,Chusov, Denis

supporting information, p. 4116 - 4121 (2020/07/13)

Carbon monoxide used to have a limited number of applications in organic chemistry, but it gradually increases its role as a mild and selective reducing agent. It can be applied for the carbon–heteroatom single bond formation via the reductive addition of hydrogen-containing nucleophiles to carbonyl compounds. In this paper, rhodium-catalyzed reductive esterification is described, and a comparative study of the rhodium and ruthenium catalysis in the reductive addition reactions is provided. Rhodium performs better on highly nucleophilic substrates and ruthenium is better for compounds with less nucleophilicity.

KMnO4-catalyzed chemoselective deprotection of acetate and controllable deacetylation-oxidation in one pot

Gurawa, Aakanksha,Kumar, Manoj,Rao, Dodla S.,Kashyap, Sudhir

supporting information, p. 16702 - 16707 (2020/10/27)

A novel and efficient protocol for chemoselective deacetylation under ambient conditions was developed using catalytic KMnO4. The stoichiometric use of KMnO4 highlighted the dual role of a heterogeneous oxidant enabling direct access to aromatic aldehydes in one-pot sequential deacetylation-oxidation. The reaction employed an alternative solvent system and allowed the clean transformation of benzyl acetate to sensitive aldehyde in a single step while preventing over-oxidation to acids. Use of inexpensive and readily accessible KMnO4 as an environmentally benign reagent and the ease of the reaction operation were particularly attractive, and enabled the controlled oxidation and facile cleavage of acetate in a preceding step. This journal is

Bu 4 NI-Catalyzed C-C Bond Cleavage and Oxidative Esteri??cation of Allyl Alcohols with Toluene Derivatives

Chen, Yaoyao,Cui, Yongmei,Jia, Xueshun,Li, Chengliang,Li, Jian,Sun, Mingming

, p. 3667 - 3674 (2019/09/30)

A novel oxidative esterification of 1-arylprop-2-en-1-ols with toluene derivatives catalyzed by tetrabutylammonium iodide (TBAI) is reported. The optimization of the reaction conditions illustrates that each of experiment parameters including the catalyst, solvent, and oxidant is significant for present oxidative functionalization. This metal-free protocol has a broad substrate scope including the halogen groups for further functionalization and enriches the reactivity profile of allyl alcohol and toluene derivatives. In addition, this protocol represents a new transformation of allyl alcohol involving C-C bond cleavage and C-O bond forming.

Atom- and Step-Economical Ruthenium-Catalyzed Synthesis of Esters from Aldehydes or Ketones and Carboxylic Acids

Runikhina, Sofiya A.,Usanov, Dmitry L.,Chizhov, Alexander O.,Chusov, Denis

supporting information, p. 7856 - 7859 (2019/01/14)

We developed a ruthenium-catalyzed reductive ester synthesis from aldehydes or ketones and carboxylic acids using carbon monoxide as a deoxygenative agent. Multiple factors influencing the outcome of the reaction were investigated. Best results were obtained for commercially available and inexpensive benzene ruthenium chloride; as low as 0.5 mol % of the catalyst is sufficient for efficient reaction. Competitive studies demonstrated that the presence of even 1000 equiv of alcohol in the reaction mixture does not lead to the corresponding ester, which clearly indicates that the process is not a simple reductive esterification but a novel type of Ru-catalyzed redox process.

Tribromoisocyanuric acid (TBCA) as a mild and metal free catalyst for the acetylation and formylation of hydroxyl groups under solvent free conditions

Hekmatian, Zahra,Khazaei, Ardeshir

, p. 1565 - 1570 (2016/01/26)

A convenient approach for acetylation and formylation of various types of alcohols and phenols with acetic anhydride and formic acid in the presence of Tribromoisocyanuric acid (TBCA) as catalyst is reported. The reactions were carried out under solvent-free condition and in good to high yields at room temperature. This present method is featured with relatively mild reaction conditions, simple operation, broad substrate scope, clean work-up, short reaction times, good to high yields, excellent selectivity and also avoids tedious purifications and the use of toxic reagents.

Synthesis, characterization and application of poly(N,N'-dibromo- Nethylnaphthyl-2,7-disulfonamide) as an efficient catalyst for the acetylation and deacetylation reactions

Khazaei, Ardeshir,Saednia, Shahnaz,Roshani, Liela,Kazem-Rostami, Masoud,Zare, Abdolkarim

, p. 159 - 167 (2014/05/20)

In this work, a novel polymer namely poly(N,N'-dibromo-N-ethylnaphthyl-2,7- disulfonamide) (PBNS) is synthesized and characterized by studying its IR, 1H NMR, 13C NMR and thermal gravimetric analysis (TGA). This polymer is utilized as a highly efficient, heterogeneous and recyclable N-bromo reagent to catalyze acetylation of various compounds such as alcohols, phenols, thiol and amine with acetic anhydride under solvent-free conditions, and also it worthily catalyzes deacetylation of acetate esters in aqueous media.

Electrogenerated N-heterocyclic carbenes in the room temperature parent ionic liquid as an efficient medium for transesterification/acylation reactions

Chiarotto, Isabella,Feroci, Marta,Sotgiu, Giovanni,Inesi, Achille

supporting information, p. 326 - 331 (2013/02/25)

N-Heterocyclic carbenes (NHCs), generated by electrochemical reduction under galvanostatic control of 1,3-dialkylimidazolium-based ionic liquids, were employed as catalysts in transesterification reactions in the parent, room temperature ionic liquids (RTILs) as solvents, without the utilisation of any volatile organic solvent or base. The reaction between isopropenyl or ethyl acetate and an alcohol (not efficient in the absence of catalyst) was induced by the presence of an electrogenerated NHC, which seems to assist the proton transfer from the alcohol to the ester, yielding the corresponding acetate. The reaction also proceeds with methyl nicotinate as starting ester and 2-(diethylamino)ethanol or benzyl alcohol as alcohols and leads to the corresponding biologically active compounds, nicametate and benzyl nicotinate, in good yields. All products were isolated in good to excellent yields and complete recyclability of the ionic liquid as solvent has been demonstrated.

Solvent-free acetylation and tetrahydropyranylation of alcohols catalyzed by recyclable sulfonated ordered nanostructured carbon

Zareyee, Daryoush,Alizadeh, Parastoo,Ghandali, Mohammad S.,Khalilzadeh, Mohammad A.

, p. 713 - 721 (2013/07/26)

Rapid and practical green acetylation and tetrahydropyranylation routes of structurally diverse alcohols and phenols were applied under solvent-free reaction conditions providing excellent yields, using catalytic amounts of environmentally friendly sulfonated ordered nanoporous carbon (CMK-5-SO 3H). Non-toxic nature of the catalyst, its easy handling, recovery and reusability, and the absence of any solvent characterize the presented procedures as efficient methods. These procedures provide methods for the separation of the product by simple filtration.

Solvent-free transesterification in a ball-mill over alumina surface

Chatterjee, Tanmay,Saha, Debasree,Ranu, Brindaban C.

experimental part, p. 4142 - 4144 (2012/08/28)

An efficient procedure for transesterification has been developed in a ball-mill in the absence of any solvent, acid/base or metal catalyst. A variety of methyl, ethyl, allyl esters have been transesterified to higher benzyl and other esters in high yields by this procedure.

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