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METHYL (3-CYANOPHENYL)ACETATE, with the molecular formula C10H9NO2, is a colorless liquid characterized by a fruity odor. It is a chemical compound that finds its primary applications in the food and beverage industry as a flavoring agent and in the creation of fragrances and perfumes. Synthesized through the esterification of 3-cyanophenol with methyl acetate in the presence of an acid catalyst, it requires careful handling due to its potential harmful effects if ingested, inhaled, or absorbed through the skin.

52798-00-2

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52798-00-2 Usage

Uses

Used in Food and Beverage Industry:
METHYL (3-CYANOPHENYL)ACETATE is used as a flavoring agent for its distinctive fruity aroma, enhancing the taste and appeal of various food and drink products.
Used in Fragrance and Perfume Industry:
METHYL (3-CYANOPHENYL)ACETATE is used as a component in fragrances and perfumes, contributing to the creation of complex and pleasant scents for personal care and cosmetic products.

Check Digit Verification of cas no

The CAS Registry Mumber 52798-00-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,7,9 and 8 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 52798-00:
(7*5)+(6*2)+(5*7)+(4*9)+(3*8)+(2*0)+(1*0)=142
142 % 10 = 2
So 52798-00-2 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO2/c1-13-10(12)6-8-3-2-4-9(5-8)7-11/h2-5H,6H2,1H3

52798-00-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-(3-cyanophenyl)acetate

1.2 Other means of identification

Product number -
Other names methyl 2-(3-cyanophenyl) acetate

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:52798-00-2 SDS

52798-00-2Relevant academic research and scientific papers

Pyridineacetamide derivative serving as CDK inhibitor, and preparation method and application thereof

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Paragraph 0214-0216; 0220-0223, (2021/07/28)

The invention belongs to the technical field of pyridineacetamide derivatives, and particularly relates to a pyridineacetamide derivative serving as a CDK inhibitor and a preparation method and application of the pyridine acetamide derivative. The pyridineacetamide derivative shows excellent CDK9/CDK7 enzyme inhibitory activity, and can be used for preparing drugs used for treating cancers, especially hematologic cancers including acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, follicular lymphoma and the like and solid tumors such as breast cancer, prostate cancer, ovarian cancer, hepatocellular carcinoma, pancreatic cancer, kidney cancer, stomach cancer, colorectal cancer, lung cancer and the like.

Photoinduced Copper(I)-Catalyzed Cyanation of Aromatic Halides at Room Temperature

Kim, Kicheol,Hong, Soon Hyeok

, p. 2345 - 2351 (2017/07/22)

The first photoinduced copper(I)-catalyzed cyanation of aromatic halides at room temperature has been developed. The sp2 cyanation reaction exhibits outstanding tolerance to functional groups including primary amines and carboxylic acids, and chemoselectivity to SN2-reactive alkyl chlorides. Mechanistic investigations indicate that the reaction occurs via a single-electron transfer (SET) between the aryl halide and an excited copper(I) cyanide catalytic intermediate. (Figure presented.).

Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety

Xie, Jin,Yang, Fengzhi,Zhang, Man,Lam, Celine,Qiao, Yixue,Xiao, Jia,Zhang, Dongdong,Ge, Yuxuan,Fu, Lei,Xie, Dongsheng

supporting information, p. 131 - 134 (2016/12/27)

A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety could significantly enhance CAPE's antiproliferative activity. 2′-Propoxyl derivative, as a novel caffeic acid ester, exhibited exquisite potency (IC50?=?0.4?±?0.02 & 0.6?±?0.03?μM against Hela and DU-145 respectively).

Preparation method of 2-(3-cyanobenzyl)pyrrolidine

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Paragraph 0022-0024, (2018/01/20)

The invention discloses a preparation method of 2-(3-cyanobenzyl)pyrrolidine. The desired product is prepared from p-bromophenylacetic acid as a starting material through esterification, coupling, ring opening, ring closure and reduction. The compound is an important pharmaceutical intermediate.

COMPOUNDS AND THEIR METHODS OF USE

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Paragraph 0691-0693, (2014/05/25)

Compounds and compositions comprising compounds that inhibit glutaminase are described herein. Also described herein are methods of using the compounds that inhibit glutaminase in the treatment of cancer.

COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF

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Page/Page column 156-157, (2014/06/11)

Provided are compounds of formula (I), wherein X, Y, Z, W, m, n, o, p, R1, R2 and R6 are defined as in the description. Pharmaceutical compositions and uses as glutaminase inhibitors for treating cancers thereof are also provided.

COMPOUNDS AND THEIR METHODS OF USE

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Page/Page column 174, (2014/06/11)

Provided are compounds of formula (I), which can inhibit glutaminase. Pharmaceutical compositions comprising these compounds and uses as glutaminase inhibitors for treating cancers thereof are also provided.

NOVEL MOLECULES THAT SELECTIVELY INHIBIT HISTONE DEACETYLASE 6 RELATIVE TO HISTONE DEACETYLASE 1

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Page/Page column 63; 64, (2013/04/24)

The compounds of the present invention are HDAC6 selective inhibitors which are identified on the basis of accumulation of acetylated tubulin without accumulation of acetylated histones. Histone deacetylase or "HDAC" refers to enzymes capable of cleaving an acetyl group (-C(=0)CH3) from proteins, including histone and microtubulins. Compositions comprising the molecules and methods for their use to inhibit the activity of histone deacetylase, including for treatment, are also disclosed.

Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands

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Paragraph 0398; 0399, (2013/04/10)

The invention relates to aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS

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Page/Page column 39, (2013/04/13)

The invention relates to aryl or N-heteroaryl substituted methanesulfonamide derivatives of Formula (I) as vanilloid receptor ligands, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

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