3-Aminomethylbenzoic acid

Base Information

• Chemical Name: 3-Aminomethylbenzoic acid
• CAS No.: 2393-20-6
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2922498590
• Mol file: 2393-20-6.mol

Synonyms:m-Toluicacid, a-amino- (6CI,7CI,8CI);3-(Aminomethyl)benzoic acid;a-Amino-m-toluic acid;

Chemical Property of 3-Aminomethylbenzoic acid

Chemical Property:

• Melting Point: 246-248 °C
• Boiling Point: 332.9 °C at 760 mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 155.1 °C
• PSA: 63.32000
• Density: 1.239 g/cm³
• LogP: 1.54380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99% ^*data from raw suppliers

3-AminomethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Aminomethylbenzoic Acid can be used to treat and diagnose cancer.

Technology Process of 3-Aminomethylbenzoic acid

There total 14 articles about 3-Aminomethylbenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

→ 3-aminomethylbenzoic acid (2393-20-6)

Guidance literature:

Reference yield: 95.0%

3-Cyanobenzoic acid (1877-72-1) → 3-aminomethylbenzoic acid (2393-20-6)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/S0040-4039(00)78178-0

Reference yield:

benzoic acid (65-85-0,8013-63-6) → 3-aminomethylbenzoic acid (2393-20-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / conc. aq. H₂SO₄ / 0 °C

2: 1.) NaBH₄, 2.) AcOH / 1.) H₂O, i-PrOH, 24 h, 2.) H₂O, i-PrOH, 80 deg C, 2 h

With sodium tetrahydroborate; sulfuric acid; acetic acid;

DOI:10.1021/ja00086a005

upstream raw materials:

3-Cyanobenzoic acid

3-[(2-chloro-acetylamino)-methyl]-benzoic acid

3-(benzoylamino-methyl)-benzoic acid

hydrogenchloride

Downstream raw materials:

3-(tert-butoxycarbonylamino-methyl)benzoic acid

3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid

ethyl 4-(aminomethyl)benzoate

3-aminomethyl-benzoic acid-ethyl ester

Refernces

• 1、 -. "PRODUCTION OF XYLENE DERIVATIVES". Page/Page column 25. . Retrieved 2017/07/06.
• 2、 -. "5-LIPOXYGENASE INHIBITORS". Page/Page column 59. . Retrieved 2012/01/13.