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Butanoic acid, 2-[[(4-methoxyphenyl)amino]thioxomethyl]-3-oxo-, ethyl ester is a complex organic compound with the chemical formula C13H17NO4S. It is an ester derivative of butanoic acid, featuring a 4-methoxyphenyl group attached to an aminothioxomethyl moiety, which is connected to the 2-position of the butanoic acid backbone. The ethyl ester group is present at the carboxylic acid end, enhancing the compound's volatility and solubility in organic solvents. This chemical is known for its potential applications in the pharmaceutical and chemical industries, particularly as an intermediate in the synthesis of various drugs and agrochemicals. Its structure and properties make it a versatile building block for the development of new compounds with specific therapeutic or pesticidal activities.

5816-99-9

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5816-99-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5816-99-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,1 and 6 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 5816-99:
(6*5)+(5*8)+(4*1)+(3*6)+(2*9)+(1*9)=119
119 % 10 = 9
So 5816-99-9 is a valid CAS Registry Number.

5816-99-9SDS

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 ethyl 2-((4-methoxyphenyl)carbamothioyl)-3-oxobutanoate

1.2 Other means of identification

Product number -
Other names 2-acetyl-N-(4-methoxy-phenyl)-3-thio-malonamic acid ethyl ester

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:5816-99-9 SDS

5816-99-9Relevant academic research and scientific papers

Net rearrangements of 4-acetyl-3-(4-substituted phenylamino)-2-(5- nitropyridin-2-yl)isoxazol-5(2H)-ones to imidazo [1,2-a]pyridines by Flash-Vacuum-Pyrolysis (F.V.P)

Azimi, Chalak,Sepehraddin, Farhad,Tahazadeh, Helal

, p. 1443 - 1448 (2014/05/06)

4-acetyl-3-(4-substituted phenylamino)-2-(5-nitropyridin-2-yl) isoxazol-5(2H)-ones, rearranged under Flash-Vacuum-Pyrolysis (F.V.P) conditions accompanied by elimination of carbon dioxide to give imidazo[1, 2-a]pyridines in high to excellent yields (90-95%).

A SYNTHETIC APPROACH TO 4-OXO AND 4-THIOXO AZETIDINONES FROM HETEROCUMULENES AND ESTER ENOLATES. A NOVEL SYNTHESIS OF 4-THIO-ACETOXY AZETIDIN-2-ONES.

Cainelli, Gianfranco,Giacomini, Daria,Panunzio, Mauro,Martelli, Giorgio,Spunta, Giuseppe

, p. 3593 - 3596 (2007/10/02)

The addition of the ester enolates (3) to the heterocumulenes (4), yields acyclic derivatives (5), which can be cyclized to the thio or to the oxo malonimides (1).A further elaboration of thiomalonimides (5a) and (5c) led to 4-thio-acetoxy azetidinones (1

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