Methyl 3-amino-2-methylbenzoate

Basic Information

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CAS Number

18583-89-6

Molecular Formula

C9H11NO2

Molecular Weight

165.19 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

160°C/14mmHg

Refractive Index

n20/D 1.573(lit.)

SMILES

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CC1=C(C=CC=C1N)C(=O)OC

InChI

InChI=1S/C9H11NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,10H2,1-2H3

InChIKey

ZOOQFAUFPWXUMI-UHFFFAOYSA-N

LogP

1.3638199999999998

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

170

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzoic acid, 3-amino-2-methyl-, methyl ester
Aceticacid,2-[(3,4-dihydro-4-oxo-2-quinazolinyl)thio]-,2-[[4-(dimethylamino)phenyl]methylene]hydrazide
Methyl2-Methyl-3-Aminobenzoate
Z308867796
A4110
J-011917
SCHEMBL543352
Methyl 3-amino-2-methylbenzoate
methyl 2-methyl-3-aminobenzoate
BB 0218062
Methyl 3-amino-2-methylbenzoate, 96%
3-Amino-o-toluic Acid Methyl Ester
CS-W014306
PS-5498
MFCD00211328
methyl-3-amino-2-methylbenzoate
AKOS000351376
DTXSID20396614
methyl 2-methyl-3-aminoben-zoate
ZOOQFAUFPWXUMI-UHFFFAOYSA-N
EN300-30596
18583-89-6
AM20030221
FT-0637717
SY014708
18593-89-0
3-Amino-2-methylbenzoic Acid Methyl Ester
METHYL 3-AMINO-O-TOLUATE
METHYL 2-METHYL-3-AMINO BENZOATE
AKOS BB-3100
3-AMINO-O-TOLUIC ACID METHYL ESTER

MDL Number

MFCD00211328

FAQ

What are the physical and chemical properties of Methyl 3-amino-2-methylbenzoate (CAS: 18583-89-6)?

Methyl 3-amino-2-methylbenzoate is a crystalline compound with a molecular weight of approximately 212.27 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it is moderately reactive, particularly in nucleophilic substitution reactions. Its solubility and reactivity make it suitable for various applications in organic synthesis and pharmaceuticals.

How is Methyl 3-amino-2-methylbenzoate (CAS: 18583-89-6) typically synthesized?

Methyl 3-amino-2-methylbenzoate is typically synthesized via the esterification of 3-amino-2-methylbenzoic acid with methanol. The reaction proceeds through a condensation and esterification pathway, under mild acidic conditions, with yields ranging from 80% to 90%. Commonly, the use of concentrated sulfuric acid as a catalyst and heating to 80°C are employed to achieve high selectivity and efficiency.

What industries use Methyl 3-amino-2-methylbenzoate (CAS: 18583-89-6)?

Methyl 3-amino-2-methylbenzoate is primarily used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in polymer manufacturing as a monomer for specific materials. Additionally, it is utilized in the production of sensors and semiconductors due to its chemical reactivity and functional groups.

What precautions should be taken when handling Methyl 3-amino-2-methylbenzoate (CAS: 18583-89-6)?

When handling Methyl 3-amino-2-methylbenzoate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of vapors. Spills should be cleaned up using absorbent materials and disposed of according to local chemical waste regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.