2-Isobutyryl-N-phenyl-3-phenylacrylamide (E/Z mixture)

Basic Information

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CAS Number

125971-57-5

Molecular Formula

C19H19NO2

Molecular Weight

293.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

143-154 ºC

Boiling Point

519.438°C at 760 mmHg

SMILES

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CC(C)C(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H19NO2/c1-14(2)18(21)17(13-15-9-5-3-6-10-15)19(22)20-16-11-7-4-8-12-16/h3-14H,1-2H3,(H,20,22)/b17-13-

InChIKey

SMUFHBOCNIUNPT-LGMDPLHJSA-N

LogP

3.9338000000000024

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

413

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Benzylidene isobutyryl acetanilide
SL-000200
2-Benzylidene-N-phenyl-isobutyloyl acetamide
MFCD00671709
AS-15425
(2Z)-2-isobutyryl-N,3-diphenyl-2-propenamide
J-005308
(Z)-2-benzylidene-4-methyl-3-oxo-N-phenylpentanamide
CS-W013986
125971-57-5
AKOS024328471
SCHEMBL10045756
3-(Trifluoromethyl)pyridine-2-aceticacid
2-Benzylidene-4-methyl-3-oxo-N-phenylpentanamide
DTXSID90635269
(2Z)-2-Benzylidene-4-methyl-3-oxo-N-phenylpentanamide
Pentanamide, 4-methyl-3-oxo-N-phenyl-2-(phenylmethylene)-
222320-29-8
2-Isobutyryl-N,3-Diphenylacrylamide
2-Isobutyryl-N-phenyl-3-phenylacrylamide
Atorvastatin M-3
(2E)-2-benzylidene-4-methyl-3-oxo-N-phenylpentanamide
4-methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide
2-Benylidine isobutyryl acetanilide
Intermediates of Atorvastatin Calcium M-3
2-Benzylidene-4-Methyl-3-oxo-N-phenylpentanaMide
4-METHYL-3-OXO-N-PHENYL-2-(PHENYLMETHYLENE)-PENTAN

MDL Number

MFCD00671709

FAQ

What regulatory guidelines apply to 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5)?

2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5) falls under the scope of the European Union's REACH regulation for chemical substances, requiring registration, assessment, and authorization. It is also subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which mandates proper hazard communication including labels and safety data sheets. In the United States, it is regulated by the EPA and may require registration under the Toxic Substances Control Act (TSCA).

Are there alternatives to 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5) in synthesis?

Alternatives to 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5) may include similar compounds such as 2-methylbutyryl derivatives or other acrylamides. Common substitute reagents in synthesis include other carboxylic acid derivatives or different functional groups that can serve similar purposes in chemical reactions.

What is the market or research trend for 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5)?

The market for 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on developing more sustainable and less toxic alternatives, as well as exploring its potential in new applications such as materials science. Price trends are influenced by supply chain dynamics and increasing demand from emerging markets.

How should waste containing 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5) be handled?

Waste containing 2-Isobutyryl-N-phenyl-3-phenylacrylamide (CAS: 125971-57-5) should be collected in appropriate containers and stored in a secure environment to prevent environmental contamination. Incineration is a common disposal method, but professional waste disposal services should be utilized. Environmental protection precautions include adhering to local and international waste management regulations to ensure safe disposal and minimize environmental impact.