p-(1-Hydroxy-1-methylethyl)benzoic acid

Base Information

• Chemical Name: p-(1-Hydroxy-1-methylethyl)benzoic acid
• CAS No.: 3609-50-5
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918199090
• Mol file: 3609-50-5.mol

Synonyms:p-1-hydroxyisopropylbenzoic acid;2-p-carboxyphenylpropan-2-ol;

Chemical Property of p-(1-Hydroxy-1-methylethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 3.24E-05mmHg at 25°C
• Melting Point: 156-157 °C
• Boiling Point: 340.8°Cat760mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 174.1°C
• PSA: 57.53000
• Density: 1.204g/cm³
• LogP: 1.61220
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-(1-Hydroxy-1-methylethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(1-Hydroxy-1-methylethyl)benzoic Acid is a cuminaldehyde derivative

Technology Process of p-(1-Hydroxy-1-methylethyl)benzoic acid

There total 14 articles about p-(1-Hydroxy-1-methylethyl)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: 83.0%

4-iodobenzoic acid (619-58-9) + acetone (67-64-1) → 4-(2-hydroxypropan-2-yl)benzoic acid (3609-50-5)

Guidance literature:

4-iodobenzoic acid; With isopropylmagnesium chloride; lithium chloride; In tetrahydrofuran; at -40 ℃; for 2h; Inert atmosphere;

acetone; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

Reference yield: 55.0%

p-isopropylbenzoic acid (536-66-3) → 4-(2-hydroxypropan-2-yl)benzoic acid (3609-50-5)

Guidance literature:

With oxygen; uranyl(VI) acetate dihydrate; In methanol; at 20 ℃; for 48h; under 760.051 Torr; Schlenk technique; Irradiation;

DOI:10.1039/d1gc04042a

Reference yield: 46.0%

formic acid (64-18-6) + p-isopropylbenzoic acid (536-66-3) → 4-(2-hydroxypropan-2-yl)benzoic acid (3609-50-5)

Guidance literature:

formic acid; p-isopropylbenzoic acid; With pyridine; potassium hydroxide; In water; at 100 ℃; for 1h;

With potassium permanganate; In pyridine; water; at 100 ℃; for 16h;

DOI:10.1021/acs.jmedchem.1c00831

upstream raw materials:

4-methylisopropylbenzene

p-isopropylbenzoic acid

p-Cyanocumen

cuminol

Downstream raw materials:

4-(1-methoxy-1-methylethyl)benzoic acid

methyl 4-(1-methoxy-1-methylethyl)benzoate

methyl p-(1-hydroxy-1-methylethyl)benzoate

Refernces

• 1、 Hu, Deqing,Jiang, Xuefeng. "Stepwise benzylic oxygenation via uranyl-photocatalysis". supporting information. p. 124 - 129. Retrieved 2022/01/19.
• 2、 -. "NLRP3 inflammasome inhibitor and preparation method and application thereof". Paragraph 0118-0119. . Retrieved 2020/11/12.