Ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate
• CAS No.: 61006-27-7
• Molecular Formula: C₁₀H₁₁ClN₂O₅S
• Molecular Weight: 306.727
• DSSTox Substance ID: DTXSID80485477
• Wikidata: Q82324695
• Mol file: 61006-27-7.mol

Synonyms:61006-27-7;ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate;DTXSID80485477;Ethyl (4-chloro-2-sulfamoylanilino)(oxo)acetate

Chemical Property of Ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 306.0077203
• Heavy Atom Count: 19
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N

Technology Process of Ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate

There total 5 articles about Ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate 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: 23.0%

2-amino-5-chlorobenzenesulfonamide (5790-69-2) + Ethyl oxalyl chloride (4755-77-5) → ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate (61006-27-7)

Guidance literature:

With acetic acid; triethylamine; for 1h;

DOI:10.1016/j.bmc.2009.10.024

Reference yield:

4-chloro-aniline (106-47-8) → ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate (61006-27-7)

Guidance literature:

Multi-step reaction with 4 steps

1: nitromethane

2: aluminum (III) chloride

3: sulfuric acid / water

4: triethylamine

With aluminum (III) chloride; sulfuric acid; triethylamine; In nitromethane; water;

DOI:10.1016/j.ejmech.2012.05.011

Reference yield:

7-chloro-2,3-dihydro-3-oxo-4H-1,2,4-benzothiadiazine (5800-59-9) → ethyl 2-[2-(aminosulfonyl)-4-chloroanilino]-2-oxoacetate (61006-27-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / water

2: triethylamine

With sulfuric acid; triethylamine; In water;

DOI:10.1016/j.ejmech.2012.05.011

upstream raw materials:

2-amino-5-chlorobenzenesulfonamide

Ethyl oxalyl chloride

4-chloro-aniline

7-chloro-2,3-dihydro-3-oxo-4H-1,2,4-benzothiadiazine