5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester

Base Information

• Chemical Name: 5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester
• CAS No.: 1093348-62-9
• Molecular Formula: C14H18O5S
• Molecular Weight: 298.35
• Mol file: 1093348-62-9.mol

Synonyms:5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester;Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate ;Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate 95%

Chemical Property of 5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester

Chemical Property:

• Melting Point: 42-46°C
• Flash Point: >110℃
• PSA: 85.89000
• LogP: 2.76190

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate can be used as a reactant to prepare: Ethyl 3-oxopent-4-enoate (Nazarov′s reagent) via base-induced β-elimination reaction. Nazarov′s reagent can be employed as an anulating agent in Robinson annulation of cyclic β-diketones and cycloalkanones. γ-pyrones via triflic anhydride-mediated electrophilic condensation reaction.

Technology Process of 5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl ester

There total 2 articles about 5-[(4-Methylphenyl)sulfonyl]-3-oxopentanoic acid ethyl 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:

C14H19NO4S → ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate (1093348-62-9)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1055/s-0028-1083378

Reference yield:

hydrogen ethyl malonate (1071-46-1) + C13H14N2O3S → ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate (1093348-62-9)

Guidance literature:

hydrogen ethyl malonate; With magnesium ethylate; In tetrahydrofuran; at 20 ℃; for 1h;

C₁₃H₁₄N₂O₃S; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1055/s-0028-1083378

Reference yield: 50.0%

2-methylcyclohexane-1,3-dione (1193-55-1) + ethyl 5-[(4-methylphenyl)sulfonyl]-3-oxopentanoate (1093348-62-9) → 4a-methyl-2,5-dioxo-2,3,4,4a,5,6,7,8-octahydro-[1]naphthoic acid ethyl ester (3733-18-4,1173675-23-4)

Guidance literature:

With potassium fluoride; In methanol; at 20 ℃; for 24h;

DOI:10.1055/s-0028-1083378

upstream raw materials:

hydrogen ethyl malonate

Downstream raw materials:

C₁₄H₁₆N₂O₅

C₁₄H₂₀O₆

4a-methyl-2,5-dioxo-2,3,4,4a,5,6,7,8-octahydro-[1]naphthoic acid ethyl ester

C₁₅H₁₇NO₅

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