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131179-77-6

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131179-77-6 Usage

Chemical Properties

Off-White Solid

Uses

Efaproxiral intermediate.

Check Digit Verification of cas no

The CAS Registry Mumber 131179-77-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,1,1,7 and 9 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 131179-77:
(8*1)+(7*3)+(6*1)+(5*1)+(4*7)+(3*9)+(2*7)+(1*7)=116
116 % 10 = 6
So 131179-77-6 is a valid CAS Registry Number.
InChI:InChI=1/C16H17NO2/c1-11-7-12(2)9-14(8-11)17-16(19)10-13-3-5-15(18)6-4-13/h3-9,18H,10H2,1-2H3,(H,17,19)

131179-77-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)acetamide

1.2 Other means of identification

Product number -
Other names N-(3,5-dimethylphenyl)-4-hydroxybenzylamide

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:131179-77-6 SDS

131179-77-6Relevant articles and documents

Mass spectrometric characterization of efaproxiral (RSR13) and its implementation into doping controls using liquid chromatography-atmospheric pressure ionization-tandem mass spectrometry

Thevis, Mario,Krug, Oliver,Schaenzer, Wilhelm

, p. 332 - 338 (2006)

Efaproxiral (2-[4-[[(3,5-dimethylanilino)carbonyl]methyl]phenoxyl]-2- methylpropionic acid, formerly referred to as RSR13) is prohibited in sports according to the World Anti-Doping Agency (WADA). The drug as well as structurally related compounds and a stable isotope-labeled derivative have been synthesized to elucidate the fragmentation pathway of efaproxiral, using electrospray ionization (ESI) and tandem mass spectrometry by employing a novel linear ion trap - orbitrap hybrid mass spectrometer - in positive and negative ionization modes. The elimination of 2-methyl acrylic acid (-86 u) has been identified as a major fragmentation process in both charge states. Negative ionization and collision-induced dissociation (CID) caused an additional release of carbon dioxide (-44 u), and positive ionization the loss of formic acid (-46 u). Efaproxiral was incorporated into an existing screening procedure for doping controls using solid-phase extraction (SPE) followed by liquid chromatography-tandem mass spectrometry, enabling a limit of detection of 2.5 ng/ml and interday precisions ranging from 7.9 to 13.0%. Copyright

Selective phenol alkylation: An improved preparation of efaproxiral

Anderson, Joanne,Davis, Roman,Fitzgerald, Russ,Haberman, Jannine

, p. 2129 - 2133 (2006)

An improved, two-step synthesis of efaproxiral, used in breast cancer therapy, is described, utilizing inexpensive commodity chemicals for starting materials. Selective amide formation and O-alkylation in the presence of multireactive functional groups is demonstrated, thus avoiding protection/deprotection steps. Copyright Taylor & Francis Group, LLC.

Clickable coupling of carboxylic acids and amines at room temperature mediated by SO2F2: A significant breakthrough for the construction of amides and peptide linkages

Wang, Shi-Meng,Zhao, Chuang,Zhang, Xu,Qin, Hua-Li

, p. 4087 - 4101 (2019/04/30)

The construction of amide bonds and peptide linkages is one of the most fundamental transformations in all life processes and organic synthesis. The synthesis of structurally ubiquitous amide motifs is essential in the assembly of numerous important molecules such as peptides, proteins, alkaloids, pharmaceutical agents, polymers, ligands and agrochemicals. A method of SO2F2-mediated direct clickable coupling of carboxylic acids with amines was developed for the synthesis of a broad scope of amides in a simple, mild, highly efficient, robust and practical manner (>110 examples, >90% yields in most cases). The direct click reactions of acids and amines on a gram scale are also demonstrated using an extremely easy work-up and purification process of washing with 1 M aqueous HCl to provide the desired amides in greater than 99% purity and excellent yields.

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