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3-(4-Isobutylphenyl)propionic acid, also known as Ibuprofen impurity F, is a chemical compound derived from the synthesis of Ibuprofen, a widely used nonsteroidal anti-inflammatory drug (NSAID). It possesses a unique chemical structure with an isobutyl group attached to a phenyl ring, which is connected to a propionic acid moiety. This impurity is characterized by its distinct chemical properties and is identified in the context of Ibuprofen production and quality control.

65322-85-2

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65322-85-2 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-Isobutylphenyl)propionic acid is used as an impurity reference material for the quality control and analysis of Ibuprofen (I140000). It serves as a critical component in ensuring the purity and safety of Ibuprofen products as per the European Pharmacopoeia (EP) standards.
In the pharmaceutical industry, the identification and control of impurities such as 3-(4-Isobutylphenyl)propionic acid are essential for maintaining the efficacy, safety, and quality of drug products. This impurity reference material aids in the development of analytical methods, validation of pharmaceutical processes, and regulatory compliance, ultimately contributing to the overall safety and reliability of Ibuprofen medications.

Check Digit Verification of cas no

The CAS Registry Mumber 65322-85-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,5,3,2 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 65322-85:
(7*6)+(6*5)+(5*3)+(4*2)+(3*2)+(2*8)+(1*5)=122
122 % 10 = 2
So 65322-85-2 is a valid CAS Registry Number.

65322-85-2 Well-known Company Product Price

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  • (Y0000140)  Ibuprofen impurity F  European Pharmacopoeia (EP) Reference Standard

  • 65322-85-2

  • Y0000140

  • 1,880.19CNY

  • Detail

65322-85-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-Isobutylphenyl)propanoic acid

1.2 Other means of identification

Product number -
Other names 3-[4-(2-methylpropyl)phenyl]propanoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:65322-85-2 SDS

65322-85-2Relevant academic research and scientific papers

Preparation method of organic carboxylic acid

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Paragraph 0059-0061; 0086-0089, (2019/10/15)

The invention discloses a preparation method of organic carboxylic acid. The preparation method comprises the following steps that catalysts, olefins, water and solvents are added into a reaction container; CO is introduced; heating reaction is performed; after the reaction completion, separation is performed to obtain organic carboxylic acid; the catalysts comprise transition metal catalysts, ligands and catalysis assistants; the catalysis assistants comprise Lewis acid salt. The preparation method has the advantages that the dependency on protonic acid in the prior art is avoided; the Lewisacid salt is used as the catalysis assistant, so that the corrosion of a reaction system on equipment can be effectively prevented; the requirements on equipment are lowered. The preparation method has excellent substrate practicability; the operation steps are simple and fast; the reaction conditions are mild and are easy to control; the raw materials are cheap and can be easily obtained; the product yield and the product purity are high; the preparation method is suitable for large-scale industrial production; the normal/iso ratio of reaction products can be regulated and controlled throughthe catalysis assistants; the defects of regulating and controlling the normal/iso ratio of the reaction products by traditional phosphine ligands are overcome; the reaction progress of the reaction is simplified; the cost is favorably reduced.

Regioselectivity inversion tuned by iron(iii) salts in palladium-catalyzed carbonylations

Huang, Zijun,Cheng, Yazhe,Chen, Xipeng,Wang, Hui-Fang,Du, Chen-Xia,Li, Yuehui

supporting information, p. 3967 - 3970 (2018/04/23)

Impactful regioselectivity control is crucial for cost-effective chemical synthesis. By using cheap and abundant iron(iii) salts, the hydroxycarbonylations of both aromatic and aliphatic alkenes were significantly enhanced in both reactivity and selectivity (iso/n or n/iso up to >99:1). Moreover, Pd-catalyzed carbonylation selectivity can be switched from branched to linear by using different Fe(iii) salts. In addition, similar results were obtained for the carbonylation of secondary alcohols.

Anchored Pd-complexes in mesoporous supports: Synthesis, characterization and catalysis studies for carbonylation reactions

Sarkar, Bibhas R.,Chaudhari, Raghunath V.

, p. 154 - 173 (2013/01/15)

Pd(pyca)(PPh3)(OTs) [pyca = 2-picolinate] complex is efficiently anchored inside different mesoporous matrices, such as MCM-41, MCM-48, SBA-15 using a molecular aminopropyl tether moiety employing different synthesis strategies. Thorough characterization of the materials using powder XRD, multinuclear (13C, 29Si, 31P) CP-MAS NMR, XPS, SEM, N2-sorption studies etc. confirmed the successful anchoring of the palladium complex to the walls of the support matrices thus establishing the synthesis protocols unambiguously. The catalysts were found to be highly active and selective for the carbonylation of different aryl olefins and alcohols. Consecutive recycling and successful reuse proved the stability and true heterogeneous nature of all the anchored catalysts, which is a substantial advancement over the existing heterogeneous catalysts for carbonylation.

Synthesis of 1,4:3,6-dianhydro-d-mannitol 2,5-(hydrogenphosphate) and its usage in palladium-catalyzed hydroxycarbonylation of styrene

Jiang, Biao,Huang, Zuo-Gang,Cheng, Ke-Jun

, p. 2797 - 2803 (2007/10/03)

Phosphorylation of 1,4:3,6-dianhydro-d-mannitol by phosphorus oxychloride in the presence of triethylamine followed by hydrolysis gave a cyclie hydrogen phosphate, which has the crystal structure of 6-hydroxy-6-oxo-2,5,7,10-tetraoxa-6-phospha-tricyclo[6.3.0.04,11]undecane. It was used as a chiral ligand in palladium-catalyzed hydroxycarbonylation of styrene. The regioselectivity was good, but the optical yield was limited.

Anchored Pd complex in MCM-41 and MCM-48: Novel heterogeneous catalysts for hydrocarboxylation of aryl olefins and alcohols

Mukhopadhyay, Kausik,Sarkar, Bibhas R.,Chaudhari, Raghunath V.

, p. 9692 - 9693 (2007/10/03)

We report here, for the first time, synthesis of anchored Pd complexes in mesoporous supports such as MCM-41 and MCM-48 as true heterogeneous catalysts for hydrocarboxylation of aryl olefins and alcohols to give excellent conversion (~100%) and regioselectivity (~99%) for 2-arylpropionic acids. The catalysts were characterized by powder-XRD, 31PCP-MAS NMR, FT-IR, TEM, XPS and ICP-AES. Recycle studies with these anchored Pd mesoporous catalysts were performed to confirm true heterogeneity. Copyright

Highly active water-soluble palladium catalyst for the regioselective carbonylation of vinyl aromatics to 2-arylpropionic acids

Jayasree,Seayad,Chaudhari

, p. 1239 - 1240 (2007/10/03)

A novel water-soluble Pd complex containing pyridine carboxylate and TPPTS as ligands is a highly active catalyst for the carbonylation of vinyl aromatics under biphasic conditions and provides high regioselectivity to 2- arylpropionic acids.

Highly active supported palladium catalyst for the regioselective synthesis of 2-arylpropionic acids by carbonylation

Jayasree,Seayad,Chaudhari

, p. 1067 - 1068 (2007/10/03)

A catalyst system consisting of supported palladium in the presence of phosphine ligands, TsOH and LiCl catalyses the carbonylation of 1-arylethanols to 2-arylpropionic acids with significantly improved activity and regioselectivity; the catalyst can be recycled with no loss in activity and selectivity.

DIRECT, REGIOSELECTIVE HYDROCARBOXYLATION OF ALKYNES TO SATURATED ACIDS BY COBALT AND NICKEL CATALYSTS UNDER PHASE TRANSFER CONDITIONS

Lee, Jong-Tae,Alper, Howard

, p. 1769 - 1770 (2007/10/02)

Phase transfer catalyzed carbonylation of alkynes in the presence of cobalt chloride, potassium cyanide, and nickel cyanide affords saturated carboxylic acids, with good selectivity observed for the branched-chain isomer.

Polyprenyl compounds

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, (2008/06/13)

A polyprenyl compound terminated with a group of STR1 is novel and useful as an antihypercholesterolemic agent and an antiarteriosclerotic agent, in which X is a group of the formula STR2 (wherein K and L are independently a hydrogen atom or form a single valence bond between the carbon atoms to which they are attached), a group represented by the formula --CH2 -- or a group represented by the formula --(CH2)2 --, m is an integer of 0 or 1, and R stands for a hydroxy group, a group represented by the formula STR3 wherein R1 and R2 may be the same or different and each stands for a hydrogen atom or a lower alkyl group and p stands for an integer of 1 or 2, a group represented by the formula --NH--(CH2)q --OH (wherein q denotes an integer of 1 or 2) or a group represented by the formula

In Vivo Characterization of Hydroxamic Acid Inhibitors of 5-Lipoxygenase

Summers, James B.,Gunn, Bruce P.,Mazdiyasni, Hormoz,Goetze, Andrew M.,Young, Patrick R.,et al.

, p. 2121 - 2126 (2007/10/02)

The hydroxamic acid functionality can be incorporated into simple molecules to produce potent inhibitors of 5-lipoxygenase.The ability of many of these hydroxamates to inhibit leukotriene synthesis in vivo has been measured directly with a rat peritoneal anaphylaxis model.Despite their potent enzyme inhibitory activity in vitro, many orally dosed hydroxamic acids only weakly inhibited leukotriene synthesis in vivo.This discrepancy is attributable at least in part to the rapid metabolism of hydroxamates to the corresponding carboxylic acids, which are inactive against the enzyme.A study of the structural features that affect this metabolism revealed that 2-arylpropionohydroxamic acids are relatively resistant to metabolic hydrolysis.Several members of this class of hydroxamates are described that are orally active inhibitors of leukotriene synthesis.

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