2-{[(2E)-3-(4-Hydroxy-2,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium thiocyanate

Basic Information

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CAS Number

7431-77-8

Molecular Formula

C17H24N2O5S

Molecular Weight

368.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

177-182oC

SMILES

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C[N+](C)(C)CCOC(=O)/C=C/c1cc(c(cc1OC)O)OC.C(#N)[S-]

InChI

InChI=1S/C16H23NO5.CHNS/c1-17(2,3)8-9-22-16(19)7-6-12-10-15(21-5)13(18)11-14(12)20-4;2-1-3/h6-7,10-11H,8-9H2,1-5H3;3H

InChIKey

NPOZDPAVPFLLCN-UHFFFAOYSA-N

LogP

1.68638

Complexity

409

Safety Information

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Storage Conditions

2-8℃

Stability

吸湿性

Synonyms & References

English

ethanaminium, 2-\\3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl\oxy\-n,n,n-trimethyl-, thiocyanate (9ci)
Sinapine thiocyanate
2-((3-(4-Hydroxy-2,5-diMethoxyphenyl)acryloyl)oxy)-N,N,N-triMethylethanaMiniuM thiocyanate
Sinapine cyanide sulfonate
Sinapine cyanide sulfonate (Sinapine thiocyanate)
2-((3-(4-Hydroxy-2,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium thiocyanate
Sinapine (thiocyanate)
ST24038959
Sinapine thiocyanate,Choline, thiocyanate, 4-hydroxy-3,5-dimethoxycinnamate,Ethanaminium,2-[[3-(4-hy...

MDL Number

MFCD27968306

FAQ

What regulatory guidelines apply to 2-{[(2E)-3-(4-Hydroxy-2,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium thiocyanate (CAS: 7431-77-8)?

This compound is subject to regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations for European manufacturers and importers, and FDA/EPA requirements for its use in the United States. It is classified as a hazardous substance due to its chemical properties, and users must comply with specific handling and storage guidelines to ensure safety and compliance with applicable laws.

Are there alternatives to 2-{[(2E)-3-(4-Hydroxy-2,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium thiocyanate (CAS: 7431-77-8) in synthesis?

Several alternatives can be used as substitutes in the synthesis of this compound, including analogs such as 2-{[(2E)-3-(4-Hydroxy-2-methoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium thiocyanate and other thiocyanate derivatives with similar functional groups. Additionally, isomers and other reagents such as nitro compounds or amides can be considered based on the specific needs of the synthesis process.

What is the market or research trend for 2-{[(2E)-3-(4-Hydroxy-2,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium thiocyanate (CAS: 7431-77-8)?

Research and market trends for this compound are focused on its potential applications in pharmaceuticals and agrochemicals due to its structural complexity and unique chemical properties. Recent studies have explored its effectiveness as an intermediate in the synthesis of various compounds, and there is growing interest in its biological activities and environmental impact, which drives ongoing research and development efforts.

How should waste containing 2-{[(2E)-3-(4-Hydroxy-2,5-dimethoxyphenyl)-2-propenoyl]oxy}-N,N,N-trimethylethanaminium thiocyanate (CAS: 7431-77-8) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately to prevent environmental contamination. For disposal, it is recommended to follow the guidelines for hazardous waste management, such as incineration or professional waste disposal services. Environmental protection measures should be taken to ensure that the waste is handled and disposed of in a safe and environmentally responsible manner, adhering to local and international regulations.