5-[(4-Ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid

Base Information

• Chemical Name: 5-[(4-Ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid
• CAS No.: 215299-79-9
• Molecular Formula: C₁₆H₂₄N₂O₅S
• Molecular Weight: 356.443
• DSSTox Substance ID: DTXSID401197484

Synonyms:SCHEMBL6330574;DTXSID401197484;5-[(4-Ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid;215299-79-9

Chemical Property of 5-[(4-Ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 356.14059304
• Heavy Atom Count: 24
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)O

Technology Process of 5-[(4-Ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic acid

There total 5 articles about 5-[(4-Ethyl-1-piperazinyl)sulfonyl]-2-propoxybenzoic 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:

CH4O3S*C16H24N2O5S (215299-81-3) → 5-(4-Ethylpiperazin-1-ylsulphonyl)-2-n-propoxybenzoic Acid (215299-79-9)

Guidance literature:

With sodium hydroxide; sodium chloride; In water; 4-methyl-2-pentanone; for 0.5h; pH=5.3;

Reference yield:

5-(4-ethyl-piperazine-1-sulfonyl)-2-propoxy-benzoic acid methyl ester (252233-58-2) → 5-(4-Ethylpiperazin-1-ylsulphonyl)-2-n-propoxybenzoic Acid (215299-79-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; Heating;

DOI:10.1021/jm000336j

Reference yield:

methyl-2-propoxybenzoic acid (18167-33-4) → 5-(4-Ethylpiperazin-1-ylsulphonyl)-2-n-propoxybenzoic Acid (215299-79-9)

Guidance literature:

Multi-step reaction with 3 steps

1: HSO₃Cl; SOCl₂ / 0 - 20 °C

2: Et₃N / CH₂Cl₂ / 1.5 h / 0 °C

3: LiOH*H₂O / tetrahydrofuran / Heating

With chlorosulfonic acid; lithium hydroxide; thionyl chloride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm000336j

upstream raw materials:

5-(4-ethyl-piperazine-1-sulfonyl)-2-propoxy-benzoic acid methyl ester

methyl-2-propoxybenzoic acid

methyl 5-chlorosulfonyl-2-propoxybenzoic acid

methyl salicylate

Downstream raw materials:

5-(4-ethyl-piperazine-1-sulfonyl)-2-propoxy-benzoyl chloride

1-[[3-[5-Chloro-4,8-dihydro-8-[(4-methoxyphenyl)methyl]-4-oxo-1H-pyrazolo[4',3': 5,6]pyrido[4, 3-d]pyrimidin-2-yl]-4-propoxyphenyl]sulfonyl]-4-ethylpiperazine

6-[5-(4-ethyl-piperazine-1-sulfonyl)-2-propoxy-benzoylamino]-3-(3-fluoro-benzyl)-3H-benzoimidazole-5-carboxylic acid amide

6-[5-(4-ethyl-piperazine-1-sulfonyl)-2-propoxy-benzoylamino]-3-(4-fluoro-benzyl)-3H-benzoimidazole-5-carboxylic acid amide

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