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(3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER, also known as N-Boc-3-acetylphenylcarbamic acid, is a chemical compound with the molecular formula C13H15NO4. It is a white to light yellow solid with a molecular weight of 249.26 g/mol. (3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is primarily used as an intermediate in the synthesis of pharmaceutical drugs and organic compounds, serving as a reagent for the formation of amides and esters. It is also utilized in the production of photoinitiators for photopolymerization reactions and is considered stable and non-reactive under normal conditions.

79537-70-5

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79537-70-5 Usage

Uses

Used in Pharmaceutical Synthesis:
(3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as an intermediate in the production of various pharmaceuticals for its role in the synthesis of active pharmaceutical ingredients.
Used in Organic Synthesis:
(3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a reagent for the formation of amides and esters in organic synthesis, contributing to the creation of a wide range of organic compounds.
Used in Photoinitiator Production:
(3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a component in the production of photoinitiators, which are essential for photopolymerization reactions in various industries, including coatings, inks, and adhesives.
Used in Coatings Industry:
In the Coatings Industry, (3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a component in photoinitiators for promoting rapid curing of coatings under ultraviolet or visible light, enhancing production efficiency and reducing energy consumption.
Used in Inks Industry:
In the Inks Industry, (3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used in the formulation of UV-curable inks, which offer fast drying times and improved durability on various substrates.
Used in Adhesives Industry:
In the Adhesives Industry, (3-ACETYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER is used in the development of UV-curable adhesives, providing strong bonding capabilities with rapid curing for efficient manufacturing processes.

Check Digit Verification of cas no

The CAS Registry Mumber 79537-70-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,5,3 and 7 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 79537-70:
(7*7)+(6*9)+(5*5)+(4*3)+(3*7)+(2*7)+(1*0)=175
175 % 10 = 5
So 79537-70-5 is a valid CAS Registry Number.

79537-70-5SDS

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 tert-butyl N-(3-acetylphenyl)carbamate

1.2 Other means of identification

Product number -
Other names AB3280

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:79537-70-5 SDS

79537-70-5Relevant academic research and scientific papers

Synthesis of Thiourea and Sulfonylurea Derivatives of Chalcones and Flavones and their Biological Evaluation

Pratap, Ram,Satyanarayana, Mavurapu,Shukla, Poonam,Srivastava, Arvind K,Tiwari, Priti,Tripathi, Brajendra K

, p. 341 - 345 (2021/11/22)

Chalcone and flavone derivatives based on thiourea and sulfonylurea (6, 7a and 7b, 13a and 13b) were synthesized and confirmed by spectral data. All the target compounds were evaluated for in vivo antihyperglycemic activity in sucrose loaded model (SLM) a

Rational modification, synthesis and biological evaluation of 3,4-dihydroquinoxalin-2(1H)-one derivatives as potent and selective c-Jun N-terminal kinase 3 (JNK3) inhibitors

Dou, Xiaodong,Huang, Huixia,Jiang, Lan,Jiao, Ning,Jin, Hongwei,Liu, Zhenming,Zhang, Liangren,Zhang, Lihe,Zhu, Guiwang

, (2020/07/03)

The c-Jun N-terminal kinase 3 (JNK3) plays key roles in a wide range of diseases, including neurodegeneration diseases, inflammation diseases, cancers, cardiovascular diseases, and metabolic disorders. Previously, we have identified a lead compound, (Z)-3

Contra-thermodynamic E → Z isomerization of cinnamamides via selective energy transfer catalysis

Becker, Marc R.,Morack, Tobias,Robertson, Jack,Metternich, Jan B.,Mück-Lichtenfeld, Christian,Daniliuc, Constantin,Burley, Glenn A.,Gilmour, Ryan

supporting information, (2020/05/25)

A bio-inspired, photocatalytic E → Z isomerization of cinnamides is reported using inexpensive (?)-riboflavin (vitamin B2) under irradiation at λ = 402 nm. This operationally simple transformation is compatible with a range of amide derivatives including –NR2, –NHSO2R and N(Boc)2 (up to 99:1 Z:E). Selective energy transfer from the excited state photocatalyst to the starting E-isomer ensures that directionality is achieved: The analogous process with the Z-isomer is inefficient due to developing allylic strain causing chromophore deconjugation. This is supported by X-ray analysis and Stern-Volmer photo-quenching studies. Preliminary validation of the method in manipulating the conformation of a simple model Leu-enkephalin penta-peptide is disclosed via the incorporation of a cinnamamide-based amino acid.

Metal-Free Photoinduced Transformation of Aryl Halides and Diketones into Aryl Ketones

Yao, Qiuli,Liu, Wenbo,Liu, Peng,Ren, Linjing,Fang, Xuehong,Li, Chao-Jun

supporting information, p. 2721 - 2724 (2019/01/14)

The acylation of aryl halides to prepare aryl ketones without metal catalyst represents an important yet challenging topic towards more sustainable ketone synthesis. Herein, we describe a simple and efficient metal-free protocol for the acylation of aryl halides with diketone under the irradiation of light utilizing N-methylpiperidine as base under an air atmosphere. This reaction can tolerate a wide range of functional groups and the corresponding ketones can be obtained in modest to good yields.

T790M mutant EGFR inhibitors and its application in the preparation of antineoplastic

-

Paragraph 0090; 0092; 0094; 0095, (2018/03/25)

The invention provides a T790M mutant EGFR inhibitor and an application of the same in preparation of antitumor drugs. The inhibitor is a pyrimidine compound with structural characteristics of a formula (I). The compound can inhibit various tumor cells and particularly can act on EGFR L858R/T790M and EGFR E 745_A750/T790M lung cancer cells selectively, and the IC 50 of the compound is 10 timers and even 100 times higher than that of wild cancer cells. The compound is the protease inhibitor which is capable of overcoming prior EGFR-TKI drug resistance and has selectivity and can be applied to preparation of antitumor drugs. (img file= 'DDAS0000708455660000011. TIF' wi= '716' he= '576'/).

Applying the designed multiple ligands approach to inhibit dihydrofolate reductase and thioredoxin reductase for anti-proliferative activity

Ng, Hui-Li,Chen, Shangying,Chew, Eng-Hui,Chui, Wai-Keung

, p. 63 - 74 (2016/04/05)

The development of multi-targeting drugs is currently being explored as an attractive alternative to combination therapy, especially for the treatment of complex diseases such as cancer. Dihydrofolate reductase (DHFR) and thioredoxin reductase (TrxR) are enzymes belonging to two unrelated cellular pathways that are known to contribute towards cancer cell growth and survival. In order to evaluate whether simultaneous inhibition of DHFR and TrxR by dihydrotriazines (DHFR-targeting) and chalcones (TrxR-targeting) may be beneficial, breast MCF-7 and colorectal HCT116 carcinoma cells were treated with combinations of selected dihydrotriazines and chalcones at a 1:1 M ratio. Two combinations demonstrated synergy at low-to-moderate concentrations. Based on this result, four merged dihydrotriazine-chalcone compounds were designed and synthesized. Two compounds, 11a [DHFR IC50 = 56.4 μM, TrxR IC50 (60 min) = 12.6 μM] and 11b [DHFR IC50 = 2.4 μM, TrxR IC50 (60 min) = 10.1 μM], demonstrated in vitro inhibition of DHFR and TrxR. The compounds showed growth inhibitory activity against MCF-7 and HCT116 cells, but lacked cytotoxicity. Molecular docking experiments showed 11b to possess rational binding modes to both the enzymes. In conclusion, this study has not only identified the dihydrotriazine and chalcone scaffolds as good starting points for the development of dual inhibitors of DHFR and TrxR, but also demonstrated the synthetic feasibility of producing a chemical entity that could result in simultaneous inhibition of DHFR and TrxR. Future efforts to improve the antiproliferative profiles of such compounds will look at alternative ways of integrating the two pharmacophoric scaffolds.

Highly ortho-Selective Chlorination of Anilines Using a Secondary Ammonium Salt Organocatalyst

Xiong, Xiaodong,Yeung, Ying-Yeung

supporting information, p. 16101 - 16105 (2016/12/26)

An organocatalytic, highly facile, efficient, and regioselective ortho-chlorination of anilines is described. A secondary ammonium chloride salt has been employed as the catalyst and the reaction can be conducted at room temperature without protection from air and moisture. In addition, the reaction is readily scalable and the catalyst can be recycled and reused. This catalytic protocol has been applied to the efficient synthesis of a highly potent c-Met kinase inhibitor. Mechanistic studies revealed that unique structural features of the secondary ammonium chloride salt are important for both the catalysis and regioselectivity of the electrophilic ortho-chlorination.

COMPOUNDS COMPRISING 1,1',2,5'-TETRAHYDROSPIRO[INDOLE-3,2'-PYRROLE]-2,5'-DIONE SYSTEM AS INHIBITORS P53-MDM2 PROTEIN-PROTEIN INTERACTION

-

Page/Page column 29; 30, (2016/01/01)

A spirooxoindole compound represented by the formula selected from the group consisting of Formula (IA) and (IB), wherein all symbols are as defined in the description. The compound can find use in a method of prevention and/or treatment of diseases selec

Pd-catalyzed amidation of aryl(Het) halides with tert-butyl carbamate

Qin, Lijin,Cui, Hongmeng,Zou, Dapeng,Li, Jingya,Wu, Yangjie,Zhu, Zhiwu,Wu, Yusheng

experimental part, p. 4445 - 4448 (2010/09/12)

Pd-catalyzed cross-coupling reaction of tert-butyl carbamate with various aryl(Het) halides with Cs2CO3 as base in 1,4-dioxane as solvent was investigated, which resulted in the formation of the desired compounds in moderate to excellent yields.

Room-temperature Pd-catalyzed amidation of aryl bromides using tert-butyl carbamate

Bhagwanth, Swapna,Waterson, Alex G.,Adjabeng, George M.,Hornberger, Keith R.

supporting information; experimental part, p. 4634 - 4637 (2009/09/08)

(Chemical Equation Presented) The scope of Pd-catalyzed synthesis of N-Boc-protected anilines from aryl bromides and commercially available tertbutyl carbamate is described. For the first time, this process can be conducted at room temperature (17-22°C) u

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