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Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI), also known as ethynylphenyl carbamate, is a chemical compound with the molecular formula C12H13NO2. It is the ester of carbamic acid and 3-ethynylphenol, and is a white solid at room temperature. Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI) is primarily used in the synthesis of pharmaceuticals and agrochemicals, and is known for its insecticidal and acaricidal properties, making it a valuable component in the formulation of pesticides. Due to its potential hazards to human health and the environment, it is crucial to handle and use this chemical with care, adhering to all safety protocols and regulations.

185619-66-3

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185619-66-3 Usage

Uses

Used in Pharmaceutical Industry:
Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI) is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a versatile building block in the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI) is used as an active ingredient in the formulation of pesticides due to its insecticidal and acaricidal properties. It helps in controlling and eliminating pests and parasites that can cause significant damage to crops, thereby contributing to increased agricultural productivity and food security.
Used in Chemical Research:
Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI) is also utilized in chemical research for studying its properties and potential applications. Researchers can explore its reactivity, stability, and interactions with other compounds, which can lead to the discovery of new chemical reactions and the development of innovative products.

Check Digit Verification of cas no

The CAS Registry Mumber 185619-66-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,5,6,1 and 9 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 185619-66:
(8*1)+(7*8)+(6*5)+(5*6)+(4*1)+(3*9)+(2*6)+(1*6)=173
173 % 10 = 3
So 185619-66-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H15NO2/c1-5-10-7-6-8-11(9-10)14-12(15)16-13(2,3)4/h1,6-9H,2-4H3,(H,14,15)

185619-66-3SDS

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 tert-butyl N-(3-ethynylphenyl)carbamate

1.2 Other means of identification

Product number -
Other names -

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:185619-66-3 SDS

185619-66-3Relevant academic research and scientific papers

Grafting Behavior for the Resonating Variants of Ethynylaniline on Hydrogenated Silicon (100) Surfaces under Thermal Hydrosilylation

Tung, Joline,Tew, Lih Shin,Coluccini, Carmine,Lin, Yue-Der,Khung, Yit Lung

, p. 13270 - 13277 (2018)

This work reports the outcome of thermal grafting of 2-ethynylaniline, 3-ethynylaniline, and 4-ethynylaniline on a hydrogenated Si(100) surface. Using high-resolution XPS and AFM, it was found that the grafting of these compounds could be attributed to re

Fragment screening and assembly: A highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor

Liu, Gang,Xin, Zhili,Pei, Zhonghua,Hajduk, Philip J.,Abad-Zapatero, Cele,Hutchins, Charles W.,Zhao, Hongyu,Lubben, Thomas H.,Ballaron, Stephen J.,Haasch, Deanna L.,Kaszubska, Wiweka,Rondinone, Cristina M.,Trevillyan, James M.,Jirousek, Michael R.

, p. 4232 - 4235 (2003)

Using an NMR-based fragment screening and X-ray crystal structure-based assembly, starting with millimolar ligands for both the catalytic site and the second phosphotyrosine binding site, we have identified a small-molecule inhibitor of protein tyrosine phosphatase 1B with low micromolar inhibition constant, high selectivity (30-fold) over the highly homologous T-cell protein tyrosine phosphatase, and good cellular activity in COS-7 cells.

A relay FRET event in a designed trichromophoric pentapeptide containing an: O -, m -aromatic-amino acid scaffold

Bag, Subhendu Sekhar,Yashmeen, Afsana

, p. 9765 - 9768 (2018)

The concept of a relay FRET event is established in a designed trichromophoric pentapeptide containing an o-,m-aromatic amino acid scaffold in the backbone as a novel β-turn mimetic β-sheet folding nucleator. This system would find application in studying fundamental processes involving interbiomolecular interactions in chemical biology.

Cu-Catalyzed Aminodifluoroalkylation of Alkynes and α-Bromodifluoroacetamides

Lv, Yunhe,Pu, Weiya,Chen, Qian,Wang, Qingqing,Niu, Jiejie,Zhang, Qian

, p. 8282 - 8289 (2017/08/14)

The copper-catalyzed highly regioselective aminodifluoroalkylation of alkynes and α-bromodifluoroacetamides was realized for the first time. With this method, 3,3-difluoro-1H-pyrrol-2(3H)-ones were constructed in a single step from various alkynes and α-b

GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF

-

Paragraph 001146; 001147, (2018/01/17)

Provided herein are glucocorticoid receptor agonist immunoconjugates, glucocorticoid receptor agonists, and methods of using the same, e.g., to treat autoimmune or inflammatory diseases.

Axially chiral amino acid scaffolds as efficient fluorescent discriminators of methanol-ethanol

Bag, Subhendu Sekhar,Jana, Subhashis

supporting information, p. 13391 - 13398 (2017/11/28)

We report a unique fluorescence sensor based on an axially chiral unnatural triazolyl aromatic amino acid scaffold (ArTAA) for discrimination of methanol from ethanol via a switch on fluorescence response. All three sensors, the simple scaffold (ArTAA), and the mono- (PyAm-ArTAA) and bis-pyrenyl- (Py2Am-ArTAA) amides, show similar sensitivity and detection limit ranging from 0.5-2.1 v/v% of ethanol. The solid films of these sensors are also found to be effective in sensing ethanol vapour via generation of a distinct and enhanced fluorescence signal. All our experimental results suggest the role of axial chirality of the hairpin-shaped scaffold in differential solvation guided H-bonding interaction and discriminating between ethanol and methanol with a switch-on fluorescence response.

Triazolo-β-aza-ε-amino acid and its aromatic analogue as novel scaffolds for β-turn peptidomimetics

Bag, Subhendu Sekhar,Jana, Subhashis,Yashmeen, Afsana,De, Suranjan

, p. 5242 - 5245 (2015/03/30)

Triazolo-β-aza-ε-amino acid and its aromatic analogue (AlTAA/ArTAA) in the peptide backbone mark a novel class of conformationally constrained molecular scaffolds to induce β-turn conformations. This was demonstrated forAlTAA in a Leu-enkephalin analogue and in a designed pentapeptide wherein the FRET process was established. Restricted rotation induced chirality and turn conformation into the achiral aromatic amino acid scaffold,ArTAA, which in a short tripeptide backbone acted as a β-turn mimic as a β-sheet folding nucleator. This journal is

Rational design of 5-phenyl-3-isoxazolecarboxylic acid ethyl esters as growth inhibitors of Mycobacterium tuberculosis. A potent and selective series for further drug development

Lilienkampf, Annamaria,Pieroni, Marco,Wan, Baojie,Wang, Yuehong,Franzblau, Scott G.,Kozikowski, Alan P.

scheme or table, p. 678 - 688 (2010/07/06)

New antituberculosis (anti-TB) drugs are urgently needed to shorten the 6-12month treatment regimen and especially to battle drug-resistant Mycobacterium tuberculosis (Mtb) strains. In this study, we have continued our efforts to develop isoxazole-based a

AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE

-

Page/Page column 39-40, (2009/03/07)

The present invention provides compounds and methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles.

SULFOXIMINES AS KINASE INHIBITORS

-

Page/Page column 71, (2008/12/05)

The present invention relates to organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation.

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