4-(isopropylsulfonyl)benzoic acid

Base Information

• Chemical Name: 4-(isopropylsulfonyl)benzoic acid
• CAS No.: 20884-61-1
• Molecular Formula: C10H12O4S
• Molecular Weight: 228.26500
• Hs Code.: 2916399090
• Mol file: 20884-61-1.mol

Synonyms:4-Isopropylsulfon-benzoesaeure;F2158-0852;p-Isopropylsulfonyl-benzoesaeure;

Chemical Property of 4-(isopropylsulfonyl)benzoic acid

Chemical Property:

• Melting Point: 187-188 °C (decomp)(Solv: water (7732-18-5))
• Boiling Point: 430.7±37.0 °C(Predicted)
• PKA: 3.50±0.10(Predicted)
• PSA: 79.82000
• Density: 1.288±0.06 g/cm3(Predicted)
• LogP: 2.64770
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-(Isopropylsulfonyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(isopropylsulfonyl)benzoic acid

There total 8 articles about 4-(isopropylsulfonyl)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: 26.0%

→ 4-(isopropylsulfonyl)benzoic acid (20884-61-1)

Guidance literature:

With sodium hydroxide; potassium permanganate; In water; for 7h; Heating / reflux;

Reference yield:

2-iodo-propane (75-30-9) + 4-methyl benzenethiol sodium salt (10486-08-5) → 4-(isopropylsulfonyl)benzoic acid (20884-61-1)

Guidance literature:

With ethanol; sodium ethanolate; In water; at 0 - 75 ℃;

Reference yield:

isopropyl 4-methoxycarbonylphenyl sulfide (1008769-70-7) → 4-(isopropylsulfonyl)benzoic acid (20884-61-1)

Guidance literature:

isopropyl 4-methoxycarbonylphenyl sulfide; With sodium hypochlorite; for 0.166667h; Green chemistry;

With hydrogenchloride; pH=1; Green chemistry;

DOI:10.1016/j.tetlet.2014.02.092

upstream raw materials:

1-methyl-4-(propane-2-sulfonyl)benzene

4-(isopropylthio)benzaldehyde

1-(isopropylthio)-4-methylbenzene

para-thiocresol

Downstream raw materials:

4-(propane-2-sulfonyl)-benzoyl chloride

p-Isopropylsulfonyl-benzoesaeureamid

p-Isopropylsulfonyl-benzoesaeure-methylamid

p-(Isopropylsulfonyl)-benzoesaeure-hydrazid

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