Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester
• CAS No.: 74131-21-8
• Molecular Formula: C₁₂H₁₇NO₅S
• Molecular Weight: 287.337
• DSSTox Substance ID: DTXSID20225091
• Wikidata: Q83103998
• Mol file: 74131-21-8.mol

Synonyms:BRN 5066204;Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester;74131-21-8;2-(Aminosulfonyl)-5-ethoxybenzoic acid 1-methylethyl ester;DTXSID20225091;LS-36042

Chemical Property of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 1.72E-08mmHg at 25°C
• Boiling Point: 455.7°C at 760 mmHg
• Flash Point: 229.4°C
• PSA: 104.07000
• Density: 1.248g/cm³
• LogP: 3.07900
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 287.08274382
• Heavy Atom Count: 19
• Complexity: 401

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C

Technology Process of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester

There total 2 articles about Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester 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:

5-Ethoxy-1,1-dioxo-1H-1λ6-benzo[c][1,2]oxathiol-3-one (65397-50-4) → 5-Ethoxy-2-sulfamoyl-benzoic acid isopropyl ester (74131-21-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 0.5 h / Heating

2: PCl₅ / 2 h / 100 °C

3: 66.1 percent / NH₃ / diethyl ether

With phosphorus pentachloride; ammonia; In diethyl ether;

DOI:10.1007/BF00765905

Reference yield:

5-Ethoxy-2-sulfo-benzoic acid isopropyl ester → 5-Ethoxy-2-sulfamoyl-benzoic acid isopropyl ester (74131-21-8)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / 2 h / 100 °C

2: 66.1 percent / NH₃ / diethyl ether

With phosphorus pentachloride; ammonia; In diethyl ether;

DOI:10.1007/BF00765905

upstream raw materials:

5-Ethoxy-1,1-dioxo-1H-1λ⁶-benzo[c][1,2]oxathiol-3-one

Refernces