2-[(2-Ethoxy-2-oxoethyl)amino]benzoic acid

Base Information

• Chemical Name: 2-[(2-Ethoxy-2-oxoethyl)amino]benzoic acid
• CAS No.: 65992-17-8
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.22500
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50471746
• Nikkaji Number: J1.995.960K
• Wikidata: Q82300396
• Mol file: 65992-17-8.mol

Synonyms:2-[(2-ethoxy-2-oxoethyl)amino]benzoic acid;65992-17-8;2-((2-Ethoxy-2-oxoethyl)amino)benzoic acid;AKOS BBS-00007304;SBB043115;DTXSID50471746;MFCD08691909;AKOS000269163

Chemical Property of 2-[(2-Ethoxy-2-oxoethyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 379.605oC at 760 mmHg
• Flash Point: 183.379oC
• PSA: 75.63000
• Density: 1.28g/cm3
• LogP: 1.43280
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98% ^*data from raw suppliers

2-[(2-ethoxy-2-oxoethyl)amino]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=CC=C1C(=O)O

Technology Process of 2-[(2-Ethoxy-2-oxoethyl)amino]benzoic acid

There total 4 articles about 2-[(2-Ethoxy-2-oxoethyl)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: 97.0%

ethanol (64-17-5) + phenylglycine-o-carboxylic acid (612-42-0) → N-(ethoxycarbonylmethyl)anthranilic acid (65992-17-8)

Guidance literature:

With sulfuric acid; for 3h; Heating;

DOI:10.1016/j.tetlet.2003.11.111

Reference yield: 60.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + chloroacetic acid ethyl ester (105-39-5) → N-(ethoxycarbonylmethyl)anthranilic acid (65992-17-8)

Guidance literature:

With potassium carbonate; In acetone; for 15h; Heating;

DOI:10.1016/S0223-5234(02)01340-5

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + ethanol (64-17-5) + phenylglycine-o-carboxylic acid (612-42-0) → N-(ethoxycarbonylmethyl)anthranilic acid (65992-17-8)

Guidance literature:

upstream raw materials:

ethanol

phenylglycine-o-carboxylic acid

anthranilic acid

chloroacetic acid ethyl ester

Downstream raw materials:

N-(thiosemicarbazidocarbonylmethyl)anthranilic acid

N-[(5'-amino-1',3',4'-thiadiazol-2'-yl)methyl]anthranilic acid

N-[(5'-acetylamino-1',3',4'-thiadiazol-2'-yl)methyl]anthranilic acid

2-({5-[(E)-(3-Phenyl-acryloyl)amino]-[1,3,4]thiadiazol-2-ylmethyl}-amino)-benzoic acid