Methyl 4-aminobenzoate
- CAS NO.：619-45-4
- Empirical Formula: C8H9NO2
- Molecular Weight: 151.16
- MDL number: MFCD00007891
- EINECS: 210-598-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is Methyl 4-aminobenzoate?
Chemical properties
white to beige crystals or crystalline powder
The Uses of Methyl 4-aminobenzoate
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.
The Uses of Methyl 4-aminobenzoate
Methyl 4-aminobenzoate was used in the syntheses of guanidine alkaloids, (±)-martinelline and (±)-martinellic acid by a protic acid catalyzed hetero Diels-Alder coupling reaction with N-Cbz 2-pyrroline.
Synthesis Reference(s)
Synthetic Communications, 26, p. 973, 1996 DOI: 10.1080/00397919608003701
Synthesis, p. 23, 1978
General Description
The catalytic oxidation of methyl 4-aminobenzoate by hydrogen peroxide was studied.
Properties of Methyl 4-aminobenzoate
| Melting point: | 110-111 °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,Sealed in dry,Room Temperature |
| solubility | 3.82g/l |
| pka | pK1:2.38(＋1) (25°C) |
| form | Crystals or Crystalline Powder |
| color | White to beige |
| Water Solubility | Soluble in alcohol and ether. Slightly soluble in water. |
| BRN | 775913 |
| CAS DataBase Reference | 619-45-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 4-amino-, methyl ester(619-45-4) |
| EPA Substance Registry System | Benzoic acid, 4-amino-, methyl ester (619-45-4) |
Safety information for Methyl 4-aminobenzoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position 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. Continuerinsing. P405:Store locked up. |
Computed Descriptors for Methyl 4-aminobenzoate
| InChIKey | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
Methyl 4-aminobenzoate manufacturer
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