2-(Ethylamino)-5-methylbenzoic acid

Base Information

• Chemical Name: 2-(Ethylamino)-5-methylbenzoic acid
• CAS No.: 54675-17-1
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID90500882
• Wikidata: Q82352878

Synonyms:2-(Ethylamino)-5-methylbenzoic acid;54675-17-1;CHEMBRDG-BB 9071917;SCHEMBL13921284;DTXSID90500882;BBEOAXDWSOBKMN-UHFFFAOYSA-N;N-Ethyl-5-methyl anthranilic acid;2-(Ethylamino)-5-methylbenzoicacid;MFCD07439743;AKOS000275332;BS-38064;CS-0247342;EN300-364806;Z111833880

Chemical Property of 2-(Ethylamino)-5-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 191 °C(Solv: water (7732-18-5))
• Boiling Point: 327.0±30.0 °C(Predicted)
• PKA: 2.84±0.36(Predicted)
• Density: 1.162±0.06 g/cm3(Predicted)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

2-(ethylamino)-5-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC1=C(C=C(C=C1)C)C(=O)O

Technology Process of 2-(Ethylamino)-5-methylbenzoic acid

There total 4 articles about 2-(Ethylamino)-5-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:

1-ethyl-5-methyl-2,3-indolinedione (299925-63-6) → 2-(ethylamino)-5-methylbenzoic acid (54675-17-1)

Guidance literature:

1-ethyl-5-methyl-2,3-indolinedione; With dihydrogen peroxide; sodium hydroxide; In water; at 30 ℃; Cooling with ice;

With acetic acid; In water; pH=5 - 6; Cooling with ice;

DOI:10.1080/00397911.2011.566407

Reference yield:

5-methyl-indole-2,3-dione (608-05-9) → 2-(ethylamino)-5-methylbenzoic acid (54675-17-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide

2.1: dihydrogen peroxide; sodium hydroxide / water / 30 °C / Cooling with ice

2.2: pH 5 - 6 / Cooling with ice

With dihydrogen peroxide; potassium carbonate; sodium hydroxide; In water; N,N-dimethyl-formamide;

DOI:10.1080/00397911.2011.566407

Reference yield:

N-ethyl-p-tolylamine (622-57-1) → 2-(ethylamino)-5-methylbenzoic acid (54675-17-1)

Guidance literature:

With magnesium; ethyl iodide; Einleiten von Kohlendioxyd bei 225grad in das Reaktionsprodukt;

upstream raw materials:

N-ethyl-p-tolylamine

ethyl iodide

5-methyl-indole-2,3-dione

1-ethyl-5-methyl-2,3-indolinedione

Downstream raw materials:

1-ethyl-6-methylquinazolin-4(1H)-one

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