Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate

Basic Information

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CAS Number

37842-58-3

Molecular Formula

C12H16N2O5S

Molecular Weight

117.15 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 Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

118-120 ºC (ethanol ethyl ether )

Boiling Point

494.3℃ at 760 mmHg

SMILES

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CCOC(=O)C(C#N)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C5H8N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-9-5(8)4(7)3-6/h2-5H,1H3,(H,8,9,10);4H,2,7H2,1H3

InChIKey

IJPUEWDLGXTFSX-UHFFFAOYSA-N

LogP

-0.10330000000000011

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

353

Synonyms & References

English

Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate
ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonat
ethyl 2-amino-2-cyanoacetate,4-methylbenzenesulfonic acid
ethyl 3-nitriloalaninate 4-methylbenzenesulfonate (1:1)
ETHYL AMINOCYANOACETATE P-TOLUENESULFONATE
Ethyl aminocyanoacetate p-tolunensulfonate
NSC 150033
CS-W006139
DTXSID00302293
MFCD00666813
Toluene-4-sulfonic acid; compound with amino-cyano-acetic acid ethyl ester
ethyl 2-amino-2-cyanoacetate;4-methylbenzenesulfonic acid
4-methylbenzene-1-sulfonic acid; ethyl 2-amino-2-cyanoacetate
EN300-189629
DB-360374
ETHYL 2-AMINO-2-CYANOACETATE; PARA-TOLUENE SULFONATE
4-Methylbenzene-1-sulfonic acid--ethyl 3-nitriloalaninate (1/1)
NSC150033
AKOS-92639
AKOS016004493
BCP08001
NSC-150033
AKOS 92639
SCHEMBL5671105
ethyl 2-amino-2-cyanoacetate. PTSA
DS-17872
SY020914
Acetic acid, ethyl ester, mono(4-methylbenzenesulfonate)
37842-58-3
ethyl alpha-amino-alpha-cyanoacetate 4-methylbenzenesulfonate
Ethyl2-amino-2-cyanoacetate4-methylbenzenesulfonate

MDL Number

MFCD00666813

Customs Code

2926909090

FAQ

What regulatory guidelines apply to Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate (CAS: 37842-58-3)?

Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical substances. Specific regulations include MSDS (Material Safety Data Sheet) standards for workplace safety, environmental impact assessments, and disposal guidelines.

Are there alternatives to Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate (CAS: 37842-58-3) in synthesis?

Alternatives to Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate in synthesis include similar reagents like ethyl 2-amino-2-cyanoacetate and other derivatives of 4-methylbenzenesulfonic acid. These alternatives can offer comparable functionality and are often chosen based on availability, cost, and specific reaction requirements.

What is the market or research trend for Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate (CAS: 37842-58-3)?

There is growing interest in Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate for its applications in pharmaceuticals and organic synthesis. Market trends show increasing research in new synthetic methods and applications, driven by advancements in drug discovery and materials science. However, price fluctuations and regulatory concerns may influence market dynamics.

How should waste containing Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate (CAS: 37842-58-3) be handled?

Waste containing Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate should be collected and disposed of according to local regulations. Incineration is a common method, but professional waste disposal services are recommended to ensure environmental safety. Proper handling includes neutralizing the waste to reduce toxicity and ensuring waste is transported by certified carriers.