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(2E)-3-(2-Methylphenyl)acryloyl chloride, also known as 2-Methylcinnamoyl chloride, is an acryloyl chloride compound with a chemical formula of C10H9ClO. It is a derivative of acrylic acid and contains a chloride functional group. This colorless to light yellow liquid with a pungent odor is commonly used in organic synthesis and chemical reactions to introduce the acryloyl group to various organic molecules. Due to its hazardous nature, it requires careful handling and storage.

83612-52-6

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83612-52-6 Usage

Uses

Used in Organic Synthesis:
(2E)-3-(2-Methylphenyl)acryloyl chloride is used as a reagent in organic synthesis for introducing the acryloyl group to various organic molecules. This allows for the creation of new compounds with specific properties and applications.
Used in Chemical Reactions:
In the chemical industry, (2E)-3-(2-Methylphenyl)acryloyl chloride is used as an intermediate in chemical reactions to produce a variety of products. Its ability to introduce the acryloyl group makes it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
(2E)-3-(2-Methylphenyl)acryloyl chloride is used as a building block in the pharmaceutical industry for the synthesis of drug candidates. Its unique structure and reactivity contribute to the development of new medications with potential therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical sector, (2E)-3-(2-Methylphenyl)acryloyl chloride is utilized as a key component in the synthesis of pesticides and other crop protection agents. Its role in creating effective and targeted compounds helps to improve agricultural productivity and crop protection.
Used in Specialty Chemicals:
(2E)-3-(2-Methylphenyl)acryloyl chloride is also used in the production of specialty chemicals, such as dyes, coatings, and adhesives. Its versatility in introducing the acryloyl group allows for the development of innovative products with specific performance characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 83612-52-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,3,6,1 and 2 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 83612-52:
(7*8)+(6*3)+(5*6)+(4*1)+(3*2)+(2*5)+(1*2)=126
126 % 10 = 6
So 83612-52-6 is a valid CAS Registry Number.

83612-52-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-3-(2-methylphenyl)prop-2-enoyl chloride

1.2 Other means of identification

Product number -
Other names (e)-3-o-tolylacryloyl chloride

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:83612-52-6 SDS

83612-52-6Relevant academic research and scientific papers

Antifungal Exploration of Quinoline Derivatives against Phytopathogenic Fungi Inspired by Quinine Alkaloids

Chen, Yong-Jia,Ma, Kun-Yuan,Du, Sha-Sha,Zhang, Zhi-Jun,Wu, Tian-Lin,Sun, Yu,Liu, Ying-Qian,Yin, Xiao-Dan,Zhou, Rui,Yan, Yin-Fang,Wang, Ren-Xuan,He, Ying-Hui,Chu, Qing-Ru,Tang, Chen

, p. 12156 - 12170 (2021/10/26)

Enlightened from our previous work of structural simplification of quinine and innovative application of natural products against phytopathogenic fungi, lead structure 2,8-bis(trifluoromethyl)-4-quinolinol (3) was selected to be a candidate and its diversified design, synthesis, and antifungal evaluation were carried out. All of the synthesized compounds Aa1-Db1 were evaluated for their antifungal activity against four agriculturally important fungi, Botrytis cinerea, Fusarium graminearum, Rhizoctonia solani, and Sclerotinia sclerotiorum. Results showed that compounds Ac3, Ac4, Ac7, Ac9, Ac12, Bb1, Bb10, Bb11, Bb13, Cb1. and Cb3 exhibited a good antifungal effect, especially Ac12 had the most potent activity with EC50 values of 0.52 and 0.50 μg/mL against S. sclerotiorum and B. cinerea, respectively, which were more potent than those of the lead compound 3 (1.72 and 1.89 μg/mL) and commercial fungicides azoxystrobin (both >30 μg/mL) and 8-hydroxyquinoline (2.12 and 5.28 μg/mL). Moreover, compound Ac12 displayed excellent in vivo antifungal activity, which was comparable in activity to the commercial fungicide boscalid. The preliminary mechanism revealed that compound Ac12 might cause an abnormal morphology of cell membranes, an increase in membrane permeability, and release of cellular contents. These results indicated that compound Ac12 displayed superior in vitro and in vivo fungicidal activities and could be a potential fungicidal candidate against plant fungal diseases.

Modular Cyclopentenone Synthesis through the Catalytic Molecular Shuffling of Unsaturated Acid Chlorides and Alkynes

Lee, Yong Ho,Denton, Elliott H.,Morandi, Bill

supporting information, p. 20948 - 20955 (2020/12/21)

We describe a general strategy for the intermolecular synthesis of polysubstituted cyclopentenones using palladium catalysis. Overall, this reaction is achieved via a molecular shuffling process involving an alkyne, an α,β-unsaturated acid chloride, which serves as both the alkene and carbon monoxide source, and a hydrosilane to create three new C-C bonds. This new carbon monoxide-free pathway delivers the products with excellent yields. Furthermore, the regioselectivity is complementary to conventional methods for cyclopentenone synthesis. In addition, a set of regio- and chemodivergent reactions are presented to emphasize the synthetic potential of this novel strategy.

Co(iii)-catalyzed: Z -selective oxidative C-H/C-H cross-coupling of alkenes with triisopropylsilylacetylene

Zhao, Tingxing,Qin, Dekun,Han, Weiguo,Yang, Shiping,Feng, Boya,Gao, Ge,You, Jingsong

supporting information, p. 6118 - 6121 (2019/06/03)

A Co(iii)-catalyzed direct oxidative C-H/C-H cross-coupling reaction of acrylamides with triisopropylsilylacetylene is presented. It is applicable to unsubstituted, internal and terminal acrylamides with a broad functionality tolerance. The feasibility of

Structure-anticonvulsant activity studies in the group of (E)-N-cinnamoyl aminoalkanols derivatives monosubstituted in phenyl ring with 4-Cl, 4-CH3or 2-CH3

Gunia-Krzy?ak, Agnieszka,?elaszczyk, Dorota,Waszkielewicz, Anna M.,Pańczyk, Katarzyna,Marona, Henryk,Rapacz, Anna,Filipek, Barbara,?es?awska, Ewa,S?oczyńska, Karolina,P?kala, El?bieta,Nitek, Wojciech

, p. 471 - 482 (2016/12/30)

A series of twenty two (E)-N-cinnamoyl aminoalkanols derivatives monosubstituted in phenyl ring with 4-Cl, 4-CH3or 2-CH3was designed, synthesized and evaluated for anticonvulsant activity in rodent models of seizures: maximal electroshock (MES) test, subcutaneous pentylenetetrazole (scPTZ) test, and 6-Hz test. There were identified three most active compounds: S-(2E)-N-(1-hydroxypropan-2-yl)-3-(2-methylphenyl)prop-2-enamide (5) (ED50MES = 42.56, ED50scPTZ = 58.38, ED506-Hz 44 mA = 42.27 mg/kg tested in mice after intraperitoneal (i.p.) administration); R,S-(2E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide (6) (ED50MES = 53.76, ED50scPTZ = 90.31, ED506-Hz 44 mA = 92.86 mg/kg mice, i.p.); and R,S-(2E)-3-(4-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide (11) (ED50MES = 55.58, ED50scPTZ = 102.15, ED506-Hz 44 mA = 51.27 mg/kg mice, i.p.). Their structures and configurations were confirmed by crystal X-ray diffraction method. The structure-activity studies among the tested series showed that chlorine atom in position para or methyl group in position ortho of phenyl ring were beneficial for anticonvulsant activity. Methyl group in position para of phenyl ring decreased anticonvulsant activity in reported series of cinnamamide derivatives.

Copper-catalyzed highly selective synthesis of 2-benzyl- and 2-benzylidene-substituted benzo[: B] thiazinones from 2-iodophenylcinnamamides and potassium sulfide

Liu, Wenjuan,Min, Hao,Zhu, Xiaoming,Deng, Guobo,Liang, Yun

supporting information, p. 9804 - 9808 (2017/12/08)

An efficient and practical procedure for the synthesis of 2-benzyl- and 2-benzylidene-substituted benzo[b]thiazinones from easily available 2-iodophenylcinnamamides and potassium sulfide has been developed. In the presence of DBU, the reaction proceeds vi

Lithocholic acid-3-oxime ester compound, and preparation method and application thereof

-

Paragraph 0026, (2017/12/27)

The invention discloses a lithocholic acid-3-oxime ester compound shown in a formula (I), and a preparation method thereof. The preparation method comprises the following steps: reacting substituted cinnamic acid and sulfoxide chloride to obtain substitut

Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams

Kong, Wei-Jun,Liu, Yue-Jin,Xu, Hui,Chen, Yan-Qiao,Dai, Hui-Xiong,Yu, Jin-Quan

supporting information, p. 2146 - 2149 (2016/03/05)

Pd-catalyzed α-olefinic C-H activation of simple α,β-unsaturated olefins has been developed. 4-imino-β-lactam derivatives were readily synthesized via activation of α-olefinic C-H bonds with excellent cis stereoselectivity. A wide range of heterocycles at the β-position are compatible with this reaction. The product of 4-imino-β-lactam derivatives can be readily converted to 2-aminoquinoline which exists extensively in pharmaceutical drugs and natural products.

Preparation of conjugated 1,3-enynes by Rh(III)-catalysed alkynylation of alkenes via C-H activation

Collins, Karl D.,Lied, Fabian,Glorius, Frank

supporting information, p. 4459 - 4461 (2014/04/17)

An experimentally simple additive-free Rh(III)-catalysed direct alkynylation of alkenes has been developed. This protocol employs commercially available TIPS-EBX as the alkyne source, giving access to conjugated terminal enynes following a simple silyl-de

NEW ALKANOLAMIDE DERIVATIVES OF CINNAMIC ACID AND USE OF ALKANOLAMIDE DERIVATIVES OF CINNAMIC ACID FOR PREPARATION OF DRUGS

-

Page/Page column 7; 8, (2014/05/24)

The invention presents new alkanolamide derivatives of cinnamic acid of general Formula 1 and the use of alkanolamide derivatives of cinnamic acid for production of drugs for neurological disorders like epilepsy and/or pain.

The synthesis of 3,4-disubstituted dihydroquinolin-2(1H)-one under metal-free conditions in aqueous solution

Wang, Hongyan,Sun, Bin,Yang, Jun,Wang, Jitao,Mao, Pu,Yang, Liangru,Mai, Wenpeng

, p. 542 - 545 (2014/12/10)

A novel route toward 3,4-disubstituted dihydroquinolin-2(1H )-ones via radical process has been developed in aqueous solution without metals. This method offers a new and simple route for the synthesis of skeleton of dihydroquinolin-2(1H )-one in one step

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