34246-57-6

Basic information

• Product Name: Benzaldehyde, 3-(1-methylethyl)- (9CI)
• Synonyms: Benzaldehyde, 3-(1-methylethyl)- (9CI)
• CAS NO: 34246-57-6
• Molecular Formula: C₁₀H₁₂O
• Molecular Weight: 148.20168
• Product Categories: ALDEHYDE
• Mol File: 34246-57-6.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 216.6°C at 760 mmHg
• Flash Point: 87.5°C
• Appearance: /
• Density: 0.98g/cm³
• Vapor Pressure: 0.139mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Benzaldehyde, 3-(1-methylethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzaldehyde, 3-(1-methylethyl)- (9CI)(34246-57-6)
• EPA Substance Registry System: Benzaldehyde, 3-(1-methylethyl)- (9CI)(34246-57-6)

Safety Data

• Hazardous Substances Data: 34246-57-6(Hazardous Substances Data)

Usage

Description

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.

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.

InChI:InChI=1/C10H12O/c1-8(2)10-5-3-4-9(6-10)7-11/h3-8H,1-2H3

Upstream product

• 5433-01-2 1-bromo-3-isopropylbenzene 
• 68-12-2 N,N-dimethyl-formamide 
• 125109-85-5 beta-methyl-3-(1-methylethyl)-benzenepropanal 
• 51605-97-1 2-bromo-4-isopropylaniline 
• 5651-47-8 3-isopropylbenzoic acid 
• 99-88-7 4-Isopropylaniline 
• 51473-70-2 1-(m-isopropylphenyl)methanol 
• 3132-99-8 m-bromobenzoic aldehyde 
• 77047-87-1 isopropyl zinc bromide 
• 7073-94-1 1-bromo-2-isopropylbenzene 
• 535-77-3 m-cymene 
• 101781-19-5 <3-Isopropyl-phenyl>-<4-dimethylamino-phenyl>-methanol 
• 75-29-6 isopropyl chloride 
• 100-52-7 benzaldehyde 

Downstream Products

• 16678-35-6 3-isopropyl-benzaldehyde-semicarbazone 
• 13935-94-9 2-<3-i-Propylphenyl>indan-1,3-dion 
• 121-91-5 isophthalic acid 
• 135473-65-3 [Amino-(3-isopropyl-phenyl)-methyl]-phosphonic acid 
• 135473-60-8 [Amino-(3-isopropyl-phenyl)-methyl]-phosphonic acid diethyl ester 
• 135473-76-6 [Benzylamino-(3-isopropyl-phenyl)-methyl]-phosphonic acid 
• 135473-51-7 [Benzylamino-(3-isopropyl-phenyl)-methyl]-phosphonic acid diethyl ester 
• 1078693-93-2 (E)-1,2-bis(3-isopropylphenyl)ethene 
• 1189360-35-7 5-[(E)-2-[3-(1-methylethyl)phenyl]ethenyl]-3-isoxazolecarboxylic acid ethyl ester 
• 947319-03-1 C₂₄H₃₃NO₅S 

Relevant 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

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.

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

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.

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

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.