2-((2-Hydroxyethyl)amino)benzoic acid

Base Information

• Chemical Name: 2-((2-Hydroxyethyl)amino)benzoic acid
• CAS No.: 25784-00-3
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40180451
• Nikkaji Number: J1.607.666J
• Wikidata: Q83050993
• Metabolomics Workbench ID: 159700
• ChEMBL ID: CHEMBL1464388
• Mol file: 25784-00-3.mol

Synonyms:25784-00-3;2-((2-Hydroxyethyl)amino)benzoic acid;2-[(2-hydroxyethyl)amino]benzoic acid;2-(2-hydroxyethylamino)benzoic acid;2-(2-Hydroxy-ethylamino)-benzoic acid;Benzoic acid, 2-((2-hydroxyethyl)amino)-;BRN 2721181;N-2-Hydroxyethylanthranilic acid;2-(2-Hydroxy-ethylamino)benzoic acid;Enamine_003538;Oprea1_575651;4-14-00-01025 (Beilstein Handbook Reference);MLS000776124;SCHEMBL9279236;CHEMBL1464388;DTXSID40180451;HMS1404A18;HMS2674D12;MFCD01661528;STL262698;N-(2-hydroxyethyl)amino benzoic acid;2-((2-Hydroxyethyl)amino)benzoicacid;AKOS000114617;SB85276;IDI1_007181;NCGC00246037-01;SMR000371125;CS-0218132;3-Phenyl-2-(1H-tetrazol-1-yl)propanoicacid;EN300-00207;J-505642;Z56845199

Chemical Property of 2-((2-Hydroxyethyl)amino)benzoic acid

Chemical Property:

• Vapor Pressure: 1.85E-07mmHg at 25°C
• Boiling Point: 410.1°C at 760 mmHg
• Flash Point: 201.8°C
• PSA: 69.56000
• Density: 1.337g/cm³
• LogP: 0.86200
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%Min ^*data from raw suppliers

2-[(2-hydroxyethyl)amino]benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NCCO

Technology Process of 2-((2-Hydroxyethyl)amino)benzoic acid

There total 6 articles about 2-((2-Hydroxyethyl)amino)benzoic 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: 20.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + 2-chloro-ethanol (107-07-3) → 2-((2-hydroxyethyl)amino)benzoic acid (25784-00-3)

Guidance literature:

With potassium carbonate; potassium iodide; In water; for 12h; Heating;

Reference yield:

2-Iodobenzoic acid (88-67-5) + ethanolamine (141-43-5) → 2-((2-hydroxyethyl)amino)benzoic acid (25784-00-3)

Guidance literature:

2-Iodobenzoic acid; ethanolamine; With palladium on activated charcoal; copper(l) iodide; triphenylphosphine; In water; at 25 ℃; for 0.5h;

In water; at 80 ℃; for 16h;

DOI:10.1021/jo050440e

Reference yield:

methyl 2-(2-hydroxyethylamino)benzoate (76315-61-2) → 2-((2-hydroxyethyl)amino)benzoic acid (25784-00-3)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

oxirane

anthranilic acid

methyl 2-(2-hydroxyethylamino)benzoate

2-chloro-ethanol

Downstream raw materials:

indoxyl