Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate

Basic Information

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CAS Number

71626-11-4

Molecular Formula

C20H23NO3

Molecular Weight

325.41 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

78-80 ºC

Boiling Point

463.59°C (rough estimate)

Density

1.2700

Flash Point

237.3 °C

Refractive Index

1.5614 (estimate)

SMILES

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CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3

InChIKey

CJPQIRJHIZUAQP-UHFFFAOYSA-N

LogP

3.440640000000002

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

421

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in rats (mg/kg): 4200 orally; 1100 i.p.; LC50 (96 hr) in rainbow trout: 3.75 mg/l (Bergamaschi)

Synonyms & References

English

M-9834
BENALAXYL, (+/-)-
Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alaninate
DL-Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester
UNII-18TH6NY90J
M 9834
SCHEMBL21674
DTXCID1021619
Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester, DL-
CS-0079476
N-(2,6-dimethylphenyl)-N-(1-carbomethoxy-ethyl)-phenylacetamide
EINECS 275-728-7
Caswell No. 471AC
NCGC00255523-01
methyl N-(phenylacetyl)-N-(2,6-xylyl)-DL-alaninate
Methyl N-phenylacetyl-N-2,6-xylyl-DL-alaninate
Benalaxyl 100 microg/mL in Cyclohexane
CJPQIRJHIZUAQP-UHFFFAOYSA-
2-(2,6-dimethyl-N-(1-oxo-2-phenylethyl)anilino)propanoic acid methyl ester
Benalaxyl, PESTANAL(R), analytical standard
Benalaxyl [ISO]
W-104515
methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
HY-121109
Q2795787
N-(2,6-Dimethylphenyl)-N-(2-phenylacetyl)-alanine methyl ester
InChI=1/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
BRN 3001587
Galben
BENALAXYL
N-(2,6-Dimethylphenyl)-N-(phenylacetyl)-DL-alanine methyl ester

MDL Number

MFCD00143652

FAQ

What regulatory guidelines apply to Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4)?

Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4) is subject to GHS classification for flammable liquids and may require specific handling and storage under REACH regulations in the EU. In the USA, FDA and EPA have specific requirements for the use and disposal of this compound in pharmaceutical and industrial applications.

Are there alternatives to Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4) in synthesis?

Alternatives to Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4) in synthesis include other alkanoyl derivatives and analogs such as methyl N-(2,6-diisopropylphenyl)-N-(phenylacetyl)alaninate. Common alternative reagents and substitutes include various arylacetic acids and their esters.

What is the market or research trend for Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4)?

The market for Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4) is increasing due to its use in pharmaceuticals and agrochemicals. Research trends focus on developing new synthetic methods and exploring its potential in drug discovery and as a bioactive compound.

How should waste containing Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4) be handled?

Waste containing Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CAS: 71626-11-4) should be collected in sealed containers and disposed of via incineration or professional waste disposal services. Ensure proper environmental protection precautions are taken to prevent contamination during handling and disposal.