3-Amino-4-methylbenzoic acid Chemical Properties

Melting point:

164-168 °C (lit.)

Boiling point:

273.17°C (rough estimate)

Density 

1.2023 (rough estimate)

refractive index 

1.5810 (estimate)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

DMSO (Slightly), Methanol (Slightly)

pka

4.61±0.10(Predicted)

form 

Crystalline Powder

color 

Pink to grayish

Water Solubility 

Very soluble in water.

BRN 

2082449

Stability:

Hygroscopic

Major Application

peptide synthesis

InChI

1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)

InChIKey

XKFIFYROMAAUDL-UHFFFAOYSA-N

SMILES

Cc1ccc(cc1N)C(O)=O

CAS DataBase Reference

2458-12-0(CAS DataBase Reference)

NIST Chemistry Reference

3-Amino-4-methylbenzoic acid(2458-12-0)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-24/25

WGK Germany 

3

HS Code 

29224995

Storage Class

11 - Combustible Solids

MSDS

• Language:English Provider:3-Amino-4-methylbenzoic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Amino-4-methylbenzoic acid Usage And Synthesis

Uses

3-Amino-4-methylbenzoic acid is used as a starting material to synthesize cyclopropamitosene compounds, which have potential antitumour activity. 3-Amino-4-methylbenzoic acid also has some partial herbicidal activity.

Chemical Properties

white to light yellow crystal powder

Uses

3-Amino-4-methylbenzoic acid, is a raw material used in synthesis. It is also used as an organic intermediate, Pharmaceutical intermediate.

reaction suitability

reaction type: solution phase peptide synthesis

Synthesis

0.5 g of 3-nitro-4-methyl-benzoic acid (2.76 mmol, 1.0 eq.) was dissolved in 30 mL of methanol, 5% Pd/C was added and stirred vigorously for 3 hr. under hydrogen atmosphere. The catalyst was then filtered through a short silica gel column with ethyl acetate and the organic phase was concentrated in vacuum. 400 mg of 3-amino-4-methylbenzoic acid (2.65 mmol, 96%) was obtained as a pale yellow solid.

3-Amino-4-methylbenzoic acid(2458-12-0)Related Product Information

• m-Toluic acid
• Glycine
• ALTRENOGEST
• 3-Aminobenzoic acid
• o-Toluic acid
• 4-Dimethylaminobenzoic acid
• Butyl 4-aminobenzoate
• 6-Aminocaproic acid
• p-Toluic acid
• 4-Aminobenzoic acid
• 4-Amino-3-methylbenzoic acid
• 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
• Methyl 3-amino-4-methylbenzoate
• 3-Methylanthranilic acid
• Tris(hydroxymethyl)aminomethane
• 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide
• Nilotinib impurity 3
• Nilotinib Impurity 28