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Benzaldehyde, 3-(1-methylethyl)(9CI), also known as 3-Isopropylbenzaldehyde, is an organic compound derived from benzaldehyde with an isopropyl group attached to the 3rd carbon. It is a colorless to pale yellow liquid with a strong, sweet, floral odor. Benzaldehyde, 3-(1-methylethyl)(9CI) is characterized by its molecular formula C10H12O and is a versatile building block in the synthesis of various organic compounds.

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34246-57-6 Usage

Uses

Used in Chemical Synthesis:
Benzaldehyde, 3-(1-methylethyl)(9CI) is used as a reactant in the chemical synthesis industry for the production of Mannich type products. It is involved in a three-component coupling reaction, which is a versatile method for the synthesis of complex organic molecules. The Mannich reaction is widely used in the pharmaceutical and agrochemical industries for the synthesis of biologically active compounds.
Used in Flavor and Fragrance Industry:
3-Isopropylbenzaldehyde is also utilized in the flavor and fragrance industry due to its strong, sweet, and floral odor. It is an important component in the creation of various perfumes, colognes, and other scented products, as well as in the formulation of artificial flavors for the food and beverage industry.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Benzaldehyde, 3-(1-methylethyl)(9CI) serves as a key intermediate in the synthesis of various drugs and pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Dye and Pigment Industry:
Benzaldehyde, 3-(1-methylethyl)(9CI) is also employed in the dye and pigment industry for the production of various organic dyes and pigments. Its chemical properties make it suitable for the synthesis of colorants used in the textile, plastics, and printing industries.

Check Digit Verification of cas no

The CAS Registry Mumber 34246-57-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,4,2,4 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 34246-57:
(7*3)+(6*4)+(5*2)+(4*4)+(3*6)+(2*5)+(1*7)=106
106 % 10 = 6
So 34246-57-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O/c1-8(2)10-5-3-4-9(6-10)7-11/h3-8H,1-2H3

34246-57-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-propan-2-ylbenzaldehyde

1.2 Other means of identification

Product number -
Other names 3-Isopropylbenzaldehyde

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:34246-57-6 SDS

34246-57-6Relevant articles and documents

Synthesis and biological assessment of 4,1-benzothiazepines with neuroprotective activity on the Ca2+ overload for the treatment of neurodegenerative diseases and stroke

Arribas, Raquel L.,Braun-Cornejo, María,De Los Ríos, Cristóbal,Estrada-Valencia, Martín,Moreno-Castro, Manuel,Pérez-Marín, Raquel,Rubio-Alarcón, Marcos,Viejo, Lucía

supporting information, (2021/08/09)

In excitable cells, mitochondria play a key role in the regulation of the cytosolic Ca2+ levels. A dysregulation of the mitochondrial Ca2+ buffering machinery derives in serious pathologies, where neurodegenerative diseases highlight. Since the mitochondrial Na+/Ca2+ exchanger (NCLX) is the principal efflux pathway of Ca2+ to the cytosol, drugs capable of blocking NCLX have been proposed to act as neuroprotectants in neuronal damage scenarios exacerbated by Ca2+ overload. In our search of optimized NCLX blockers with augmented drug-likeness, we herein describe the synthesis and pharmacological characterization of new benzothiazepines analogues to the first-in-class NCLX blocker CGP37157 and its further derivative ITH12575, synthesized by our research group. As a result, we found two new compounds with an increased neuroprotective activity, neuronal Ca2+ regulatory activity and improved drug-likeness and pharmacokinetic properties, such as clog p or brain permeability, measured by PAMPA experiments.

La(OH)3nanoparticles immobilized on Fe3O4@chitosan composites as novel magnetic nanocatalysts for sonochemical oxidation of benzyl alcohol to benzaldehyde

Fadaeian, Manoochehr,Ghomi, Javad Safaei,Javidfar, Fereshteh

, p. 35988 - 35993 (2021/12/02)

This work introduces an eco-friendly method for immobilization of La(OH)3 nanoparticles on modified Fe3O4 nanoparticles. The structural and morphological characteristics of the nanocatalyst were determined by various analytical techniques including, FT-IR, EDS, FESEM, VSM and XRD. The catalytic efficiency of the Fe3O4@Cs/La(OH)3 composite as a heterogeneous nanocatalyst was evaluated by selective oxidation of benzylic alcohols to aldehydes. The optimum reaction conditions including time, temperature, nanocatalyst dosage, and solvent were investigated for ultrasound-assisted oxidation processes. Furthermore, the magnetic nanocatalyst was recovered up to seven times without considerable activity loss. Furthermore, the proposed nanocomposite had a remarkable effect on reducing the reaction time and enhancing the yield. This journal is

Triazole-directed fabrication of polyoxovanadate-based metal-organic frameworks as efficient multifunctional heterogeneous catalysts for the Knoevenagel condensation and oxidation of alcohols

Cheng, Xueli,Han, Yinfeng,Hu, Changwen,Huang, Xianqiang,Li, Jikun,Mei, Yu,Wei, Chuanping

, p. 10082 - 10091 (2021/08/03)

By introducing 4-amino-1,2,4-triazole (4-NH2-trz), three new polyoxovanadate-based metal-organic frameworks (PMOFs) [Ni3(4-NH2-trz)6][V6O18]·3H2O (1), [Co3(4-NH2-trz)6][V6O18]·3H2O (2) and [Cu3OH(4-NH2-trz)3H2O][VO3]5·H2O (3) have been synthesized and thoroughly characterized by single-crystal X-ray diffraction (SXRD), powder X-ray diffraction (PXRD), infrared spectroscopy (FT-IR), thermogravimetric (TG) analysis and elemental analysis (EA). Among them, PMOFs1and2had similar structures containing [V6O18]6?clusters; however, PMOF3was isolated as a structure containing a [VO3]55?cluster when the amount of the 4-NH2-trz ligand was reduced to half with the other synthesis conditions being the same as those of PMOFs1and2except for the transition-metal chlorides. Furthermore, the negative charges of polyoxovanadate [V6O18]6?and [VO3]55?anions were balanced by trinuclear complex cations [Ni3(4-NH2-trz)6]6?for1, [Co3(4-NH2-trz)6]6?for2and [Cu3OH(4-NH2-trz)3H2O]5?for3, respectively. PMOFs1-3were further used as heterogeneous catalysts in the Knoevenagel condensation under solvent-free conditions and showed high catalytic activity. PMOF1showed moderate catalytic activities in the oxidation of various aromatic alcohols using H2O2as an oxidant. Moreover, PMOF1could be reused at least three times without losing its activity.

Tuning of the redox potential and catalytic activity of a new Cu(ii) complex by: O -iminobenzosemiquinone as an electron-reservoir ligand

Nasibipour, Mina,Safaei, Elham,Wrzeszcz, Grzegorz,Wojtczak, Andrzej

, p. 4426 - 4439 (2020/04/03)

The synthesis and characterization of a new Cu(ii) complex, LNIS2CuII (LNIS = o-iminobenzosemiquinone), are reported. X-ray crystallography studies showed that two o-iminobenzosemiquinone radicals form a distorted square-planar geometry around the Cu(ii) center of LNIS2CuII. Magnetic measurements revealed the paramagnetic character of the complex caused by the presence of three unpaired electrons located on the o-iminobenzosemiquinonate ligands and the CuII center. Magnetochemical experiments, and EPR and DFT studies prove that the ground state of the complex is a doublet, which is consistent with the ferromagnetic coupling between Cu(ii) and o-iminobenzosemiquinone centers and stronger antiferromagnetic coupling between the iminobenzosemiquinone moieties. The ligand-centered redox reactions of the complex were studied by cyclic voltammetry. Aerobic oxidation of alcohols to aldehydes with TEMPO was studied in the presence of LNIS2CuII. Furthermore, LNIS2CuII was found to be an efficient catalyst in homo-coupling of terminal alkynes.

Method for synthesizing aromatic aldehyde through iron catalyzed oxidation allyl aromatic compound

-

Paragraph 0138-0140; 0152, (2019/06/27)

The invention discloses a method for synthesizing aromatic aldehyde through an iron catalyzed oxidation allyl aromatic compound. According to the specific method, under the promotion effect of hydrogen silane, with air or oxygen as the oxidant, the aromatic aldehyde compound is synthesized through the iron catalyzed oxidation allyl aromatic compound, the reaction temperature is 20-150 DEG C, and the time is 0.25-60 h. The method has the advantages that a catalyst source is wide, the price is low and the environment is protected; an oxidant source is wide, the price is low and no waste is generated; the reaction conditions are mild, selectivity is high and the yield is high; a substrate source is wide and stable; a substrate functional group is high in compatibility and a substrate is widein application range; complicated small molecules are compatible and can be well converted into aldehyde. The target product separation yield can reach up to 96% under the optimized reaction conditions.

Copper-Catalyzed Asymmetric Conjugate Addition of Dimethylzinc to Acyl-N-methylimidazole Michael Acceptors: Scope, Limitations and Iterative Reactions

Drissi-Amraoui, Sammy,Schmid, Thibault E.,Lauberteaux, Jimmy,Crévisy, Christophe,Baslé, Olivier,de Figueiredo, Renata Marcia,Halbert, Stéphanie,Gérard, Hélène,Mauduit, Marc,Campagne, Jean-Marc

supporting information, p. 2519 - 2540 (2016/08/16)

An efficient copper-catalyzed enantioselective conjugate addition of dimethylzinc to unsaturated 2-acyl-N-methylimidazoles has been achieved using a chiral bidentate hydroxyalkyl-NHC ligand. The reactions proceed with excellent regioselectivity (1,4 vs. 1,6 and 1,8) in extended conjugated systems to afford the 1,4-adducts in high enantioselectivities. This regioselectivity could be ascertained by DFT studies highlighting the crucial role of the imidazole ring. Thanks to the development of efficient protocols to regenerate the unsaturated 2-acyl-N-methylimidazole moiety, an iterative process has been developed ultimately leading to 3,5,7 all-syn or anti-anti polydeoxypropionate stereodiads. (Figure presented.).

Oxidative degradation of fragrant aldehydes. Autoxidation by molecular oxygen

Marteau,Ruyffelaere,Aubry,Penverne,Favier,Nardello-Rataj

, p. 2268 - 2275 (2013/04/10)

The oxidative degradation of fragrant aldehydes by molecular oxygen has been investigated. The oxygen consumption was monitored and the bond dissociation energy (BDE) of the aldehyde C(O)-H bond were calculated by DFT method. The oxidation products were identified by GC/MS. The different pathways accounting for the oxidative degradation are discussed. The main product is the acid, beside the formate ester. Both oxidation products result from the Baeyer-Villiger reaction involving a peracid R(CO)OOH whereas minor products arise from the hydroperoxide ROOH intermediate derived either from the acyl peroxy radical, R(CO)OO or from the decarboxylation of the peracid RC(O)OOH.

Enantioselective copper-catalyzed conjugate addition of trimethylaluminium to β,γ-unsaturated α-ketoesters

Gremaud, Ludovic,Alexakis, Alexandre

, p. 794 - 797 (2012/03/09)

Not a cop out: The copper-catalyzed asymmetric conjugate addition of organometallic reagents to Michael acceptors is an important methodology for forming a C-C bond in an enantioselective manner. Such an addition of Me 3Al to β,γ-unsaturated α-

Pd-PEPPSI-IPentCl: A highly effective catalyst for the selective cross-coupling of secondary organozinc reagents

Pompeo, Matthew,Hadei, Niloufar,Organ, Michael G.,Froese, Robert D. J.

supporting information, p. 11354 - 11357,4 (2012/12/12)

No migration? No problem. A series of new N-heterocyclic carbene based Pd complexes has been created and evaluated in the Negishi cross-coupling of aryl and heteroaryl chlorides, bromides, and triflates with a variety of secondary alkylzinc reagents (see scheme). The direct elimination product is nearly exclusively formed; in most examples there is no migratory insertion at all. Copyright

Pd-PEPPSI-IPentCl: A highly effective catalyst for the selective cross-coupling of secondary organozinc reagents

Pompeo, Matthew,Froese, Robert D. J.,Hadei, Niloufar,Organ, Michael G.

supporting information, p. 11354 - 11357 (2013/01/15)

No migration? No problem! A series of new N-heterocyclic carbene based Pd complexes has been created and evaluated in the Negishi cross-coupling of aryl and heteroaryl chlorides, bromides, and triflates with a variety of secondary alkylzinc reagents (see scheme). The direct elimination product is nearly exclusively formed; in most examples there is no migratory insertion at all. Copyright

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