Methyl (5-amino-2-methylphenyl)acetate

Basic Information

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CAS Number

850449-93-3

Molecular Formula

C10H13NO2

Molecular Weight

179.22 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

298.288°C at 760 mmHg

Density

1.115

Flash Point

154.154°C

Refractive Index

1.551

SMILES

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Cc1ccc(cc1CC(=O)OC)N

InChI

InChI=1S/C10H13NO2/c1-7-3-4-9(11)5-8(7)6-10(12)13-2/h3-5H,6,11H2,1-2H3

InChIKey

SYZKUNVMYMRJSV-UHFFFAOYSA-N

LogP

1.2927199999999999

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

182

Synonyms & References

English

Methyl 2-(5-amino-2-methylphenyl)acetate
Benzeneacetic acid, 5-amino-2-methyl-, methyl ester
2-(5-amino-2-methyl-phenyl)-acetic acid methyl ester
methyl 2-(5-azanyl-2-methyl-phenyl)ethanoate
methyl-2-(5-amino-2-methylphenyl)acetate
SYZKUNVMYMRJSV-UHFFFAOYSA-N
3136AC
FCH1150703
Methyl (5-amino-2-methylphenyl)acetate
AX8163356
5-Amino-2-methyl-benzeneacetic acid methyl ester
A841080
2-(5-amino-2-methylphenyl)acetic acid methyl

MDL Number

MFCD11655592

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3)?

Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3) is a crystalline solid with a molecular weight of approximately 190.25 g/mol. It has a melting point around 55-57°C and is slightly soluble in water. It is reactive with strong acids and bases. This compound is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight and heat sources.

How is Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3) typically synthesized?

Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3) is typically synthesized via a Grignard reaction where 2-methylphenyl magnesium bromide reacts with acetyl chloride. The reaction is conducted in a suitable solvent such as tetrahydrofuran (THF) and is monitored by thin-layer chromatography (TLC) for complete reaction. The product is then hydrolyzed to obtain the desired compound.

What industries use Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3)?

Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3) is used in pharmaceuticals for the synthesis of certain drugs. It also finds applications in the polymer industry for improving the properties of polymers, and in the chemical sensing field for developing gas sensors. It may also be used in the semiconductor industry for specific processing steps.

What precautions should be taken when handling Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3)?

When handling Methyl (5-amino-2-methylphenyl)acetate (CAS: 850449-93-3), it is important to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or fume hood. In case of a spill, appropriate spill cleanup procedures should be followed, and the material safety data sheet (MSDS) or SDS should be consulted for detailed instructions. Storage should be in a cool, dry place away from sources of heat and ignition.