3-Amino-4-methylbenzoic acid

Base Information

• Chemical Name: 3-Amino-4-methylbenzoic acid
• CAS No.: 2458-12-0
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 29224995
• European Community (EC) Number: 219-543-1
• NSC Number: 597
• UNII: BU165505VM
• DSSTox Substance ID: DTXSID30179319
• Nikkaji Number: J1.812K
• Wikidata: Q72439146
• Mol file: 2458-12-0.mol

Synonyms:3-Amino-4-methylbenzoic acid;2458-12-0;3-Amino-p-toluic acid;MFCD00007742;3-Amino-4-Methyl-Benzoic Acid;Benzoic acid, 3-amino-4-methyl-;3-Amino-4-methylbenzoicacid;NSC-597;BU165505VM;EINECS 219-543-1;NSC-127033;NSC597;Nilotinib impurity C;SCHEMBL377075;UNII-BU165505VM;3-amino 4-methyl benzoic acid;3-Amino-4-methyl benzoic acid;DTXSID30179319;NSC 597;BCP24514;BBL009326;STK498489;3-Amino-4-methylbenzoic acid, 99%;2-TOLUIDINE-4-CARBOXYLIC ACID;AKOS000120237;AC-5774;CS-W010963;SB75724;AS-12553;SY001489;A0920;A5048;AM20060571;FT-0614989;EN300-17940;Q-200358;Z57127001;F2191-0175;NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY C [EP IMPURITY]

Chemical Property of 3-Amino-4-methylbenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 6.64E-06mmHg at 25°C
• Melting Point: 164-168 °C(lit.)
• Refractive Index: 1.5810 (estimate)
• Boiling Point: 363 °C at 760 mmHg
• PKA: 4.61±0.10(Predicted)
• Flash Point: 173.3 °C
• PSA: 63.32000
• Density: 1.254 g/cm³
• LogP: 1.85660
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Very soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99.0% ^*data from raw suppliers

3-Amino-4-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)N
• 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. 3-Amino-4-methylbenzoic acid, is a raw material used in synthesis. It is also used as an organic intermediate, Pharmaceutical intermediate.

Technology Process of 3-Amino-4-methylbenzoic acid

There total 14 articles about 3-Amino-4-methylbenzoic 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: 48.0%

4-methyl-3-nitrobenzoic acid (96-98-0) → 3-amino-p-toluic acid (2458-12-0)

Guidance literature:

With hydrogen; palladium; In methanol; for 5h;

DOI:10.1007/BF02401726

Reference yield:

3-acetylamino-4-methylbenzoic acid (6946-14-1) → 3-amino-p-toluic acid (2458-12-0)

Guidance literature:

With hydrogenchloride; at 110 ℃; im Rohr;

Reference yield:

5-cyano-2-methylaniline (60710-80-7) → 3-amino-p-toluic acid (2458-12-0)

Guidance literature:

With hydrogenchloride; at 100 ℃; im Druckrohr;

upstream raw materials:

4-methyl-3-nitrobenzoic acid

3-acetylamino-4-methylbenzoic acid

5-cyano-2-methylaniline

hydrogenchloride

Downstream raw materials:

C₂₆H₁₉NO₄

8-methyl-5-quinolinecarboxylic acid

6-(hydroxymethyl)-1H-indazole

4-methyl-3-phenylthiobenzoic acid

Refernces

• 1、 -. "CASR AGONIST". Page/Page column 22. . Retrieved 2011/08/04.
• 2、 -. "One step diazotization coupling process". . . Retrieved 2008/06/13.