80-40-0 Usage
Description
Ethyl p-toluenesulfonate is an organic compound that serves as a versatile reagent and intermediate in various chemical reactions and processes. It is known for its ability to act as a methylation agent and as a sensitive material in different applications.
Uses
Used in Organic Synthesis:
Ethyl p-toluenesulfonate is used as a reagent in the manufacture of organic synthesis for its ability to facilitate various chemical reactions and processes.
Used as a Methylating Agent:
Ethyl p-toluenesulfonate is used as an intermediate for methylation reactions, providing a source of methyl groups that can be transferred to other molecules.
Used as a Sensitive Material:
Ethyl p-toluenesulfonate is used as a sensitive material in applications where its reactivity and properties are crucial for the desired outcome.
Used as a Flexibilizer for Cellulose Acetate:
Ethyl p-toluenesulfonate is used as a flexibilizer for cellulose acetate, enhancing the flexibility and performance of the material.
Used in Ethylation:
Ethyl p-toluenesulfonate is used for ethylation purposes, where the introduction of an ethyl group is required in a chemical reaction.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Ethyl p-toluenesulfonate was used to develop an extraction method for methyl and ethyl esters of various sulfonic acids in active pharmaceutical ingredients using solid-phase micro extraction coupled to GC/MS in the selected ion monitoring mode. This method allows for the fast and accurate determination of residues of common alkylating agents employed in drug synthesis.
Used in Analytical Chemistry:
Ethyl p-toluenesulfonate was used in a study to develop a fast and accurate method for the determination of residues of some common alkylating agents employed in drug synthesis by in situ derivatization-headspace-gas chromatography-mass spectrometry. This method provides a reliable and efficient way to analyze and detect the presence of these agents in samples.
Synthesis Reference(s)
Chemical and Pharmaceutical Bulletin, 34, p. 2710, 1986 DOI: 10.1248/cpb.34.2710The Journal of Organic Chemistry, 39, p. 3454, 1974 DOI: 10.1021/jo00937a050
Safety Profile
Moderately toxic by
subcutaneous and intraperitoneal routes.
Questionable carcinogen with experimental
tumorigenic data. Mutation data reported.
Combustible when exposed to heat or
flame; can react with oxidzing materials. To
fight fire, use CO2, dry chemical. When
heated to decomposition it emits hlghly
toxic fumes of SOx. See also
SULFONATES and ESTERS.
Check Digit Verification of cas no
The CAS Registry Mumber 80-40-0 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 8 and 0 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 80-40:
(4*8)+(3*0)+(2*4)+(1*0)=40
40 % 10 = 0
So 80-40-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
80-40-0Relevant articles and documents
-
Klamann,Drahowzal
, p. 154,156 (1952)
-
Regio- And stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides
Du, Wu-Bo,Wang, Ning-Ning,Pan, Chao,Ni, Shao-Fei,Wen, Li-Rong,Li, Ming,Zhang, Lin-Bao
supporting information, p. 2420 - 2426 (2021/04/07)
An electrooxidative direct difunctionalization of internal alkynes with sulfonyl hydrazides has been developed for the construction of sulfonated enethers. In this transformation, metal catalysts or stoichiometric amount of oxidants are not required and molecular nitrogen and hydrogen are the sole byproducts, providing a simple and green approach for preparing various sulfonyl tetrasubstituted alkenes. Notably, the protocol could be efficiently scaled up and the follow-up procedures of the corresponding functionalized alkenes demonstrate the practicality of the electrochemical synthesis.
Visible-light-initiated regioselective sulfonylation/cyclization of 1,6-enynes under photocatalyst- And additive-free conditions
Meng, Xiao-Xiao,Kang, Qing-Qing,Zhang, Jun-Yao,Li, Qiang,Wei, Wen-Ting,He, Wei-Min
, p. 1388 - 1392 (2020/03/11)
Without employing any photocatalyst and additive, an economical, eco-friendly and practical strategy has been developed for the visible-light-initiated regioselective sulfonylation/cyclization of 1,6-enynes in a biomass-derived green solvent 2-methylTHF from easily accessible sulfonyl chlorides under open-air conditions at room temperature. Compared with conventional heating conditions, the use of a 3 W blue light-emitting diode (LED) or sunlight not only reduces energy consumption but also minimizes side reactions. This transformation has excellent regioselectivity, mild reaction conditions, broad substrate scope and ease of scale-up. Moreover, mechanistic studies indicated that a sulfonyl radical pathway was involved in this reaction.
