IBUPROFEN

Base Information

• Chemical Name: IBUPROFEN
• CAS No.: 58560-75-1
• Molecular Formula: C13H18O2
• Molecular Weight: 206.28
• Hs Code.: 2924299090
• Mol file: 58560-75-1.mol

Synonyms:RARECHEM AL BO 0989;

Chemical Property of IBUPROFEN

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Melting Point: 77-78 °C(lit.)
• Boiling Point: 157 °C
• Flash Point: 216.7°C
• PSA: 37.30000
• LogP: 3.07320
• Water Solubility.: insoluble

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Anti-inflammatory.

Technology Process of IBUPROFEN

There total 529 articles about IBUPROFEN 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: 98.0%

2-(4-isobutylphenyl)acrylic acid (6448-14-2) → (S)-ibuprofen (51146-56-6,58560-75-1)

Guidance literature:

With C₄₈H₅₀Cl₄N₂O₂P₂Ru₃; hydrogen; sodium hydrogencarbonate; In methanol; at 20 ℃; for 24h; under 3750.38 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.6b00748

Reference yield: 95.0%

2-(4-Isobutyl-phenyl)-2-methyl-malonic acid → (S)-ibuprofen (51146-56-6,58560-75-1)

Guidance literature:

With tris hydrochloride; In water; at 37 ℃; for 24h; pH=7.0; Reagent/catalyst; enantioselective reaction; Enzymatic reaction;

DOI:10.1080/09168451.2015.1060844

Reference yield: 94.0%

(+/-)-ibuprofen methyl ester (61566-34-5) → (S)-ibuprofen (51146-56-6,58560-75-1)

Guidance literature:

(+/-)-ibuprofen methyl ester; With dimethyl sulfoxide; Candida rugosa lipase; at 40 ℃; for 144h; pH=9.8; aq. buffer;

With hydrogenchloride; In water; pH=5; optical yield given as %ee; enantioselective reaction;

DOI:10.1016/j.tetasy.2012.02.014

upstream raw materials:

4-Butyl-α-methyl-β-dichlorostyren

1-Isobutyl-4-(1-methyl-2,2-bis-methylsulfanyl-vinyl)-benzene

trichlorofluoromethane

1-(4-isobutyl-phenyl)-ethanone

Downstream raw materials:

(S)-(+)-methyl 2-(4-isobutylphenyl)propionate

(R)-ibuprofen methyl ester

tert-butyl 2-(4-isobutylphenyl)propanoate

2–(4-isobutylphenyl)-2-methylpropanoic acid