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38861-78-8

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38861-78-8 Usage

Description

4'-(2-Methylpropyl)acetophenone, also known as 4'-isobutylacetophenone, is an organic compound that serves as a crucial intermediate in various chemical reactions and processes. It is characterized by its unique molecular structure, which features a methylpropyl group attached to an acetophenone moiety. 4'-(2-Methylpropyl)acetophenone plays a significant role in the synthesis of pharmaceuticals and is also utilized in proteomics research.

Uses

Used in Pharmaceutical Industry:
4'-(2-Methylpropyl)acetophenone is used as a starting material for the production of pharmaceuticals such as ibuprofen, a widely used nonsteroidal anti-inflammatory drug (NSAID). It is employed in the synthesis process to create the active pharmaceutical ingredient (API) that provides the drug's therapeutic effects.
Used in Proteomics Research:
In the field of proteomics, 4'-(2-Methylpropyl)acetophenone is utilized as a reagent or intermediate in various experimental procedures. Its unique chemical properties make it suitable for use in the study of proteins, their structures, functions, and interactions within biological systems.
Used in Organic Synthesis:
4'-(2-Methylpropyl)acetophenone is also used as an intermediate in organic synthesis, where it can be further modified or transformed into other valuable compounds. Its versatility in chemical reactions allows it to be a key component in the synthesis of various organic molecules, contributing to the development of new materials and products.
Used in Quality Control of Ibuprofen Tablets:
As a degradation product of ibuprofen in tablets, 4'-(2-Methylpropyl)acetophenone is recognized as a known toxin. It is important for quality control processes in the pharmaceutical industry to monitor and control the presence of this impurity (I140000) in ibuprofen tablets to ensure the safety and efficacy of the medication.

Preparation

Synthesis of 4-isobutylacetophenone: toluene and propylene are reacted with the participation of metal potassium, sodium carbonate and graphite, Alkylation on methyl to generate isobutylbenzene, Then with acetyl chloride in the participation of anhydrous aluminum trichloride to obtain the product.

Check Digit Verification of cas no

The CAS Registry Mumber 38861-78-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,8,8,6 and 1 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 38861-78:
(7*3)+(6*8)+(5*8)+(4*6)+(3*1)+(2*7)+(1*8)=158
158 % 10 = 8
So 38861-78-8 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O/c1-9(2)12(10(3)13)11-7-5-4-6-8-11/h4-9,12H,1-3H3

38861-78-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Price
  • Detail
  • Alfa Aesar

  • (A10624)  4'-Isobutylacetophenone, 97%   

  • 38861-78-8

  • 50g

  • 549.0CNY

  • Detail
  • Alfa Aesar

  • (A10624)  4'-Isobutylacetophenone, 97%   

  • 38861-78-8

  • 250g

  • 1258.0CNY

  • Detail
  • Sigma-Aldrich

  • (PHR1146)  4′-Isobutylacetophenone  pharmaceutical secondary standard; traceable to USP and BP

  • 38861-78-8

  • PHR1146-500MG

  • 1,024.57CNY

  • Detail
  • USP

  • (1335541)  Ibuprofen Related Compound C  United States Pharmacopeia (USP) Reference Standard

  • 38861-78-8

  • 1335541-3X0.2ML

  • 14,320.80CNY

  • Detail

38861-78-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4'-(2-Methylpropyl)acetophenone

1.2 Other means of identification

Product number -
Other names 1-[4-(2-methylpropyl)phenyl]ethanone

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:38861-78-8 SDS

38861-78-8Relevant articles and documents

Degradation of ibuprofen by hydrodynamic cavitation: Reaction pathways and effect of operational parameters

Musmarra, Dino,Prisciandaro, Marina,Capocelli, Mauro,Karatza, Despina,Iovino, Pasquale,Canzano, Silvana,Lancia, Amedeo

, p. 76 - 83 (2016)

Ibuprofen (IBP) is an anti-inflammatory drug whose residues can be found worldwide in natural water bodies resulting in harmful effects to aquatic species even at low concentrations. This paper deals with the degradation of IBP in water by hydrodynamic cavitation in a convergent-divergent nozzle. Over 60% of ibuprofen was degraded in 60 min with an electrical energy per order (EEO) of 10.77 kWh m-3 at an initial concentration of 200 μg L-1 and a relative inlet pressure pin = 0.35 MPa. Five intermediates generated from different hydroxylation reactions were identified; the potential mechanisms of degradation were sketched and discussed. The reaction pathways recognized are in line with the relevant literature, both experimental and theoretical. By varying the pressure upstream the constriction, different degradation rates were observed. This effect was discussed according to a numerical simulation of the hydroxyl radical production identifying a clear correspondence between the maximum kinetic constant kOH and the maximum calculated OH production. Furthermore, in the investigated experimental conditions, the pH parameter was found not to affect the extent of degradation; this peculiar feature agrees with a recently published kinetic insight and has been explained in the light of the intermediates of the different reaction pathways.

Silicon nanowires as photoelectrodes for carbon dioxide fixation

Liu, Rui,Yuan, Guangbi,Joe, Candice L.,Lightburn, Thomas E.,Tan, Kian L.,Wang, Dunwei

, p. 6709 - 6712 (2012)

Lights on: When illuminated, p-type Si nanowires donate photogenerated electrons to aromatic ketones, producing reactive radicals that can harvest CO2 to yield α-hydroxy acids (see scheme). The reaction scheme closely resembles that of natural photosynthesis and gives up to 98 % yield and selectivity. Products obtained by this reaction include important precursors for nonsteroidal anti-inflammatory drugs, such as ibuprofen and naproxen. Copyright

CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN

-

Paragraph 0021; 0027; 0368-0371; 0374-0375; 0379; 0388-0389, (2021/04/23)

This disclosure generally relates to methods of making ibuprofen, naproxen, and derivatives thereof. This disclosure also generally relates to compounds made by the disclosed methods. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

FeCl3-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: Preparation of selected API impurities

Gangadurai, Chinnakuzhanthai,Illa, Giri Teja,Reddy, D. Srinivasa

, p. 8459 - 8466 (2020/11/05)

There is an ever-increasing demand for impurity compounds for use in impurity profiling as regulatory agencies seek information during registration. Herein, we report the FeCl3-catalyzed oxidative decarboxylation of aryl- and heteroaryl acetic acids to the corresponding carbonyl compounds. A variety of useful aldehydes and ketones were prepared in a simple one-pot transformation by employing an environmentally benign, low-cost, and readily available iron salt. The utility of this method has been demonstrated by preparing five valuable API impurities including a multi-gram-scale synthesis of ketorolac impurity B for the first time. This journal is

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