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3'-Tert-Butylacetophenone, also known as 1-(4-tert-butylphenyl)ethanone, p-tert-butyl acetophenone, or 3-tert-butylacetophenone, is an organic compound belonging to the aromatic homomonocyclic compounds category. It has a molecular formula of C12H16O and a molecular weight of 176.255 g/mol. This colorless substance with a sweet smell is used in various applications within the field of organic synthesis and as an intermediate in the chemical industries. However, caution is advised when handling this chemical, as it may cause skin and eye irritation upon contact.

6136-71-6

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6136-71-6 Usage

Uses

Used in Organic Synthesis:
3'-Tert-Butylacetophenone is used as a key intermediate in the synthesis of various organic compounds. Its unique structure allows for the formation of a wide range of derivatives, making it a valuable building block in the creation of new molecules with potential applications in various industries.
Used in Chemical Industries:
In the chemical industry, 3'-Tert-Butylacetophenone serves as an important intermediate for the production of various chemicals. Its versatility in reactions and compatibility with other compounds make it a crucial component in the synthesis of a broad spectrum of chemical products.
Used in Fragrance Industry:
Due to its sweet smell, 3'-Tert-Butylacetophenone is used as a fragrance ingredient in the perfumery and cosmetics industry. It contributes to the creation of complex and pleasant scents, enhancing the overall sensory experience of the final products.
Used in Research and Development:
3'-Tert-Butylacetophenone is also utilized in research and development settings, where it is employed as a model compound for studying various chemical reactions and processes. This helps scientists and researchers gain a deeper understanding of the underlying mechanisms and develop new methodologies for the synthesis of complex molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 6136-71-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,3 and 6 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6136-71:
(6*6)+(5*1)+(4*3)+(3*6)+(2*7)+(1*1)=86
86 % 10 = 6
So 6136-71-6 is a valid CAS Registry Number.

6136-71-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-(tert-Butyl)phenyl)ethanone

1.2 Other means of identification

Product number -
Other names 1-(3-tert-butylphenyl)ethanone

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:6136-71-6 SDS

6136-71-6Relevant academic research and scientific papers

Selective Electrochemical Oxygenation of Alkylarenes to Carbonyls

Li, Xue,Bai, Fang,Liu, Chaogan,Ma, Xiaowei,Gu, Chengzhi,Dai, Bin

supporting information, p. 7445 - 7449 (2021/10/02)

An efficient electrochemical method for benzylic C(sp3)-H bond oxidation has been developed. A variety of methylarenes, methylheteroarenes, and benzylic (hetero)methylenes could be converted into the desired aryl aldehydes and aryl ketones in moderate to excellent yields in an undivided cell, using O2 as the oxygen source and lutidinium perchlorate as an electrolyte. On the basis of cyclic voltammetry studies, 18O labeling experiments, and radical trapping experiments, a possible single-electron transfer mechanism has been proposed for the electrooxidation reaction.

Cu(II)-Catalyzed Ligand-Free Oxidation of Diarylmethanes and Second Alcohols in Water

Wu, Jianglong,Liu, Yan,Ma, Xiaowei,Liu, Ping,Gu, Chengzhi,Dai, Bin

supporting information, p. 1391 - 139 (2017/09/30)

We developed a simple and efficient Cu(II)-catalyzed ligand-free oxidation of diarylmethanes and secondary alcohols using 70% tert-butyl hydroperoxide (TBHP) in water. A series of diarylmethanes were directly oxidized into diaryl ketones in 67%–98% yields. Additionally, various secondary alcohols were also transformed into the desired products in 48%–98% yields. Importantly, the catalytic system in the absence of any organic solvent, surfactant, or phase transfer agent, had a wide substrate scope and a high tolerance for various functional groups.

Inhibition of protein kinase C-driven nuclear factor-κB activation: Synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules

Peddibhotla, Satyamaheshwar,Shi, Ranxin,Khan, Pasha,Smith, Layton H.,Mangravita-Novo, Arianna,Vicchiarelli, Michael,Su, Ying,Okolotowicz, Karl J.,Cashman, John R.,Reed, John C.,Roth, Gregory P.

supporting information; experimental part, p. 4793 - 4797 (2010/10/19)

A unique series of biologically active chemical probes that selectively inhibit NF-κB activation induced by protein kinase C (PKC) pathway activators have been identified through a cell-based phenotypic reporter gene assay. These 2-aminobenzimidazoles represent initial chemical tools to be used in gaining further understanding on the cellular mechanisms driven by B and T cell antigen receptors. Starting from the founding member of this chemical series 1a (notated in PubChem as CID-2858522), we report the chemical synthesis, SAR studies, and pharmacological profiling of this pathway-selective inhibitor of NF-κB activation.

4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES

-

Page/Page column 45-46, (2008/06/13)

The invention relates to 4-phenyl-pyrimidine-2-carbonitrile derivatives having the general formula (I) or a pharmaceutically acceptable salt thereof. The invention also relates to pharmaceutical compositions comprising said derivatives as well as to the use thereof in the preparation of a medicament suitable for the treatment of osteoporosis, atherosclerosis, inflammation and immune disorders, such as rheumatoid arthritis, and chronic pain, such as neuropathic pain.

The Stereochemistry of Organometallic Compounds. XXVII. Nucleophilic and Electrophilic Substitution Reactions of Conformationally Restricted Arenechromium Compounds

Jackson, W. Roy,Rae, Ian D.,Wong, Margaret G.

, p. 303 - 315 (2007/10/02)

The regioselectivity of reaction of tricarbonyl(1,1-dimethylindane)chromium with selected electrophiles and nucleophiles has been shown to be influenced by the preferred conformation of the tricarbonylchromium group.Nucleophiles preferentially react at carbon atoms eclipsed by a chromium-carbonyl bond and electrophiles at carbon atoms in staggered positions.When similar reactions were attempted with some chelated arenechromium dicarbonyl phosphorus compounds only low yields of substitution products were obtained.

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