Methyl 4-aminobenzoate, 98%, Thermo Scientific Chemicals

Description

Methyl 4-aminobenzoate is used in the synthesis of guanidine alkaloids, (±)-martinelline and (±)-martinellic acid by a protic acid catalyzed hetero Diels-Alder coupling reaction with N-Cbz 2-pyrroline. It is also used in organic synthesis and acts as a dye intermediate. Further, it is used to prepare 4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid methyl ester by reacting with 2-acetylamino-benzoic acid.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl 4-aminobenzoate is used in the synthesis of guanidine alkaloids, (±)-martinelline and (±)-martinellic acid by a protic acid catalyzed hetero Diels-Alder coupling reaction with N-Cbz 2-pyrroline. It is also used in organic synthesis and acts as a dye intermediate. Further, it is used to prepare 4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid methyl ester by reacting with 2-acetylamino-benzoic acid.

Solubility
Soluble in alcohol and ether. Slightly soluble in water.

Notes
Incompatible with strong oxidizing agents and strong bases.

Specifications

Chemical Identifiers

• CAS: 619-45-4
• Molecular Formula: C8H9NO2
• Molecular Weight (g/mol): 151.165
• MDL Number: MFCD00007891
• InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N
• Synonym: 4-aminobenzoic acid methyl ester, methyl p-aminobenzoate, benzoic acid, 4-amino-, methyl ester, p-methoxycarbonyl aniline, 4-methoxycarbonyl aniline, p-aminobenzoic acid methyl ester, methyl aniline-4-carboxylate, 4-carbomethoxyaniline, methyl4-aminobenzoate, benzoic acid, p-amino-, methyl ester
• PubChem CID: 12082
• IUPAC Name: methyl 4-aminobenzoate
• SMILES: COC(=O)C1=CC=C(C=C1)N

• Melting Point: 110°C to 114°C
• Assay Percent Range: 98%
• Quantity: 100 g
• Beilstein: 775913
• Solubility Information: Soluble in alcohol and ether. Slightly soluble in water.
• Formula Weight: 151.17
• Percent Purity: 98%
• Chemical Name or Material: Methyl 4-aminobenzoate

Safety and Handling

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P312-Call a POISON CENTER/doctor/if you feel unwell.

RUO – Research Use Only