Ethyl Acetamidocyanoacetate

Basic Information

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CAS Number

4977-62-2

Molecular Formula

C7H10N2O3

Molecular Weight

159.18 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

Basic Physical Properties

Melting Point

125-130 °C

Boiling Point

347.5 °C at 760 mmHg

Density

1.155

Flash Point

164 °C

Refractive Index

1.452

SMILES

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CCOC(=O)C(C#N)NC(=O)C

InChI

InChI=1S/C7H13NO3/c1-4-11-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)

InChIKey

BFNYDDPQMKYKKJ-UHFFFAOYSA-N

LogP

0.07409999999999961

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

228

Synonyms & References

English

MFCD00009133
NS00045059
DTXSID501292093
NSC49313
Ethyl acetaminocyanoacetate
EINECS 225-624-2
SCHEMBL1194168
acetylamino-cyano-acetic acid ethyl ester
F12299
N-Acetyl-2-cyanoglycine ethyl ester
Ethyl 2-acetamido-2-cyanoacetate
Glycine, N-acetyl-2-cyano-, ethyl ester
AI3-18205
SY101145
Z1255427198
Ethyl N-Acetyl-2-Cyanoglcine
ethyl acetamido-cyanoacetate
FT-0626160
2-acetylamino-cyanoacetic acid ethyl ester
EN300-115672
Ethyl acetamidocyanoacetate
A827847
NSC-49313
W-106006
NSC8691
Ethyl acetamidocyanoacetate, 97%
Ethyl (acetylamino)(cyano)acetate #
NSC 49313
Acetic acid, (acetylamino)cyano-, ethyl ester
ethyl 2-cyano-2-acetamidoacetate
CS-0145863

MDL Number

MFCD00009133

Customs Code

2926909090

FAQ

What regulatory guidelines apply to Ethyl Acetamidocyanoacetate (CAS: 4977-62-2)?

Ethyl Acetamidocyanoacetate (CAS: 4977-62-2) falls under the scope of the REACH regulations in the European Union, which require suppliers to register substances if they are manufactured or imported in quantities exceeding one tonne per year. In the USA, the substance would be subject to reporting under the Toxic Substances Control Act (TSCA) and could be regulated by the Food and Drug Administration (FDA) for specific applications. Additionally, this compound should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for handling and storage, including proper labeling and safety data sheets.

Are there alternatives to Ethyl Acetamidocyanoacetate (CAS: 4977-62-2) in synthesis?

For synthesizing similar functionalities, alternatives to Ethyl Acetamidocyanoacetate (CAS: 4977-62-2) include other acylamides or amino acids. For example, ethyl acetamide or ethyl cyanoacetate could serve as viable alternatives in specific reaction conditions. Chemists should consider the specific requirements of the reaction, such as reactivity, solubility, and desired product yield, when choosing an alternative reagent.

What is the market or research trend for Ethyl Acetamidocyanoacetate (CAS: 4977-62-2)?

The market for Ethyl Acetamidocyanoacetate (CAS: 4977-62-2) is currently niche, with growing interest in its use in pharmaceutical and agrochemical applications. Research trends indicate increasing exploration of its role in developing new drug candidates and pesticides. However, due to its specific applications, the demand is expected to remain limited to specialized industries. Market trends also highlight the need for sustainable and environmentally friendly synthesis methods.

How should waste containing Ethyl Acetamidocyanoacetate (CAS: 4977-62-2) be handled?

Waste containing Ethyl Acetamidocyanoacetate (CAS: 4977-62-2) should be collected in appropriate containers and stored in a secure area, ensuring that it is not a fire hazard. The waste should be neutralized or treated to reduce toxicity before disposal. For large quantities or hazardous waste, professional waste disposal services should be contacted. Environmental precautions include ensuring that the waste does not contaminate soil or water sources. Compliance with local environmental regulations is essential to ensure proper disposal and minimize environmental impact.