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2-(4-Methoxyphenyl)-2-methylpropanenitrile is a chemical compound classified as a nitrile, characterized by its molecular formula C11H13NO and a molecular weight of 175.23 g/mol. It is a clear, colorless liquid at room temperature, soluble in organic solvents like ethanol and ether, and is recognized for its potential toxicity and irritancy to skin and eyes, necessitating careful handling and use in well-ventilated environments.

5351-07-5

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5351-07-5 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-Methoxyphenyl)-2-methylpropanenitrile is utilized as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the formation of complex organic molecules that can have medicinal properties.
Used in Organic Synthesis:
In the field of organic chemistry, 2-(4-Methoxyphenyl)-2-methylpropanenitrile is employed as a building block for the creation of a range of organic compounds, leveraging its reactivity and structural features to produce diverse chemical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 5351-07-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,5 and 1 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5351-07:
(6*5)+(5*3)+(4*5)+(3*1)+(2*0)+(1*7)=75
75 % 10 = 5
So 5351-07-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3

5351-07-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-Methoxyphenyl)-2-methylpropanenitrile

1.2 Other means of identification

Product number -
Other names 2-(4-Methoxy-phenyl)-2-methyl-propionitril

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:5351-07-5 SDS

5351-07-5Relevant academic research and scientific papers

Palladium-Catalyzed Distal m-C-H Functionalization of Arylacetic Acid Derivatives

Srinivas, Dasari,Satyanarayana, Gedu

supporting information, p. 7353 - 7358 (2021/10/01)

Herein, we present m-C-H olefination on derivatives of phenylacetic acids by tethering with a simple nitrile-based template through palladium catalysis. Notably, the versatility of the method is evaluated with a wide range of phenylacetic acid derivatives for obtaining the meta-olefination products in fair to excellent yields with outstanding selectivities under mild conditions. Significantly, the present strategy is successfully exemplified for the synthesis of drugs/natural product analogues (naproxen, ibuprofen, paracetamol, and cholesterol).

Synthesis of Tertiary Benzylic Nitriles via Nickel-Catalyzed Markovnikov Hydrocyanation of α-Substituted Styrenes

Xing, Yidan,Yu, Rongrong,Fang, Xianjie

, p. 1008 - 1012 (2020/02/04)

The Markovnikov hydrocyanation of α-substituted styrenes enables the synthesis of tertiary benzylic nitriles under nickel catalysis. The Lewis-acid-free transformation features an unprecedented functional groups tolerance, including the-OH and-NH2 groups. A broad range of tertiary benzylic nitriles were obtained in good to excellent yields. In addition, an asymmetric version of this reaction was preliminarily investigated.

Cobalt-catalyzed C[sbnd]H activation/C[sbnd]O formation: Synthesis of benzofuranones

Hajipour, Abdol R.,Khorsandi, Zahra

, (2019/11/26)

Herein, C[sbnd]H activation/C[sbnd]O formation reaction using novel cobalt catalytic system is reported. This reaction was given benzofuranones in moderate to excellent yields at room-temperature under air reaction conditions. The introduced strategy is efficient and low-cost method to synthesized benzofuranones from α,α-disubstitution acetic acid.

EP300/CREBBP INHIBITOR

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Paragraph 0344; 0345; 0372; 0373, (2020/05/30)

The present invention provides a compound having excellent histone acetyltransferase inhibitory activity against EP300 and/or CREBBP, or a pharmacologically acceptable salt thereof. The compound is represented by the following formula (1) or a pharmacologically acceptable salt thereof: wherein ring Q1, ring Q2, R1, R2, R3 and R4 respectively have the same meanings as defined in the specification.

N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT

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Paragraph 0302; 0303; 0304; 0305; 0306, (2018/05/03)

The present invention relates to a N2-(2-methoxyphenyl)pyrimidine derivative, a preparation method thereof, and a pharmaceutical composition for the prevention or treatment of cancer comprising the same as an active ingredient. The N2-(2-methoxyphenyl)pyrimidine derivative, the optical isomer thereof, or the pharmaceutically acceptable salt thereof of the present invention is very effective in suppressing anaplastic lymphoma kinase (ALK) activity and as a result it can improve the effectiveness of treatment on cancer cells having anaplastic lymphoma kinase (ALK) fusion proteins such as EML4-ALK and NPM-ALK, so that it can be effectively used as a pharmaceutical composition for preventing or treating cancer.

Synthesis of indolines by copper-mediated intramolecular aromatic C-H amination

Takamatsu, Kazutaka,Hirano, Koji,Satoh, Tetsuya,Miura, Masahiro

, p. 3242 - 3249 (2015/03/30)

A Cu(OAc)2-mediated intramolecular aromatic C-H amination proceeds with the aid of a picolinamide-type bidentate coordination group to deliver the corresponding indolines in good yields. The reaction occurs smoothly even under noble-metal-free conditions, and in some cases the use of an MnO2 terminal oxidant renders the process catalytic in Cu. The mild oxidation aptitude of Cu(OAc)2 and/or MnO2 accommodates the formation of electron-rich thiophene-and indole-fused indoline analogues. The Cu-based system can provide an effective approach to various indolines of potent interest in pharmaceutical and medicinal chemistry.

A biomimetic catalytic aerobic functionalization of phenols

Esguerra, Kenneth Virgel N.,Fall, Yacoub,Lumb, Jean-Philip

supporting information, p. 5877 - 5881 (2014/06/10)

The importance of aromatic C-O, C-N, and C-S bonds necessitates increasingly efficient strategies for their formation. Herein, we report a biomimetic approach that converts phenolic C-H bonds into C-O, C-N, and C-S bonds at the sole expense of reducing dioxygen (O2) to water (H 2O). Our method hinges on a regio- and chemoselective copper-catalyzed aerobic oxygenation to provide ortho-quinones. ortho-Quinones are versatile intermediates, whose direct catalytic aerobic synthesis from phenols enables a mild and efficient means of synthesizing polyfunctional aromatic rings. The direct approach: Polyfunctional aromatic rings have been generated by direct functionalization of C-H bonds to C-O, C-N, and C-S bonds at the sole expense of reducing O2 to H2O. The method hinges on a regio- and chemoselective, copper-catalyzed aerobic oxygenation of phenols to provide ortho-quinones (see scheme), thus mimicking the ubiquitous biosynthetic pathway of melanogenesis.

Carbon-based leaving group in substitution reactions: Functionalization of sp3-hybridized quaternary and tertiary benzylic carbon centers

Mahoney, Stuart J.,Lou, Tiantong,Bondarenko, Ganna,Fillion, Eric

, p. 3474 - 3477 (2012/09/05)

Lewis acid promoted substitution reactions employing Meldrum's acid and 5-methyl Meldrum's acid as carbon-based leaving groups are described which transform unstrained quaternary and tertiary benzylic Csp 3-Csp3 bonds into Csp3-X bonds (X = C, H, N). Importantly, this reaction has a broad scope in terms of both suitable substrates and nucleophiles with good to excellent yields obtained (typically >90%).

Effects of various bases on acid-catalyzed amination of 2-chloro-5-ethylpyrimidine: Synthesis of PPARpan agonist GW693085

Glover, Bobby N.,Jones, Lynda A.,Johnson, Byron S.,Millar, Alan,Osterhout, Martin H.,Xie, Shiping

experimental part, p. 3904 - 3907 (2010/07/05)

Figure presented A unique buffering effect of various bases, i-Pr 2NEt and CaCO3 in particular, was observed for the acid-catalyzed chloro displacement of 2-chloro-5-ethylpyrimidine with a 2-methyl-2-phenylpropanamine. The use of the

TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY

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Page/Page column 123, (2009/10/30)

The present invention relates to tetrahydroisoquinoline of the formula (I) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such tetrahydroisoquinolines, and the use of such tetrahydroisoquinolin

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