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Benzaldehyde, 2-(1,1-dimethylethyl)(9CI), also known as 2-tert-butylbenzaldehyde, is a chemical compound with the molecular formula C11H14O. It is a clear, colorless liquid characterized by an almond-like odor. Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) is primarily utilized in the synthesis of various organic compounds and is recognized for its applications across different industries.

16358-79-5

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16358-79-5 Usage

Uses

Used in the Food Industry:
Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) is used as a flavoring agent for its distinctive almond-like aroma, enhancing the taste and appeal of various food products.
Used in the Cosmetic Industry:
In the cosmetic industry, Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) serves as a fragrance, adding pleasant scents to a range of cosmetic products, thereby improving consumer experience.
Used in the Production of Dyes:
Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) is utilized in the synthesis of dyes, contributing to the coloration and enhancement of various products, particularly in the textile and printing industries.
Used in the Perfume Industry:
Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) is employed in the creation of perfumes, leveraging its almond-like scent to contribute to the overall fragrance profile of different perfumes.
Used in Pharmaceutical Production:
Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) is used in the production of pharmaceuticals, playing a role in the synthesis of various medicinal compounds.
Used in the Manufacture of Plastics and Resins:
This chemical compound is also used in the manufacturing process of plastics and resins, where it contributes to the formation and properties of these materials.
It is crucial to handle Benzaldehyde, 2-(1,1-dimethylethyl)(9CI) with care due to its potential harmful effects if ingested, inhaled, or if it comes into contact with the skin or eyes, causing irritation.

Check Digit Verification of cas no

The CAS Registry Mumber 16358-79-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,3,5 and 8 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 16358-79:
(7*1)+(6*6)+(5*3)+(4*5)+(3*8)+(2*7)+(1*9)=125
125 % 10 = 5
So 16358-79-5 is a valid CAS Registry Number.

16358-79-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-tert-butylbenzaldehyde

1.2 Other means of identification

Product number -
Other names tert-butyl phenyl ketone

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:16358-79-5 SDS

16358-79-5Relevant academic research and scientific papers

POLYCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND OR THE COMPOSITION

-

, (2020/11/03)

Specific polycyclic compounds, a material for an organic electroluminescence device comprising said specific polycyclic compound, an organic electroluminescence device comprising said specific polycyclic compound, an electronic equipment comprising said organic electroluminescence device, a process for preparing said polycyclic compounds, and the use of said polycyclic compounds in an organic electroluminescence. (Formula I) (I)

NITROGEN-CONTAINING HETEROCYCLIC COMPOUND

-

, (2013/03/26)

The present invention provides a novel compound having a superior activity as an ERR-alpha modulator and useful as an agent for the prophylaxis or treatment of ERR-alpha associated diseases. The present invention relates to a compound represented by the formula (1) wherein each symbol is as defined in the specification, or a salt thereof

A novel and selective oxidation of benzylic alcohols with polymer-supported periodic acid under mild aprotic conditions

Pourali, Ali Reza,Tabaean, Mehrosadat,Nazifi, S. Mohamad Reza

experimental part, p. 21 - 24 (2012/04/10)

A new polymeric oxidizing reagent was prepared by supporting periodic acid on poly(1,4-phenylene-2,5-pyridine dicarboxyamide). This polymeric reagent was used for the selective oxidation of primary benzylic alcohols to the corresponding benzaldehydes in CH3CN at reflux conditions. Excellent selectivity was observed between primary benzyl alcohols and secondary ones as well as non-benzylic alcohols in the oxidation reactions. Allylic alcohols were also converted to the corresponding aldehydes with good yields.

A practical chemo-enzymatic approach to highly enantio-enriched cyanohydrin acetates

Maguire, Nuala M.,Ford, Alan,Clarke, Sarah L.,Eccles, Kevin S.,Lawrence, Simon E.,Brossat, Maude,Moody, Thomas S.,Maguire, Anita R.

experimental part, p. 2144 - 2150 (2012/05/04)

The preparation of enantiopure cyanohydrin acetates via enzymatic hydrolysis has been investigated by screening a range of biocatalysts and reaction conditions. Enzymatic resolution has been optimised through variation of the hydrolase biocatalyst and reaction conditions leading to synthetically useful routes to enantiopure cyanohydrin acetates.

CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD

-

Page/Page column 7, (2010/03/04)

The present invention relates to a pyridazinone derivative which can be used as a caspase inhibitor, process for the preparation thereof, and pharmaceutical composition for inhibiting caspase comprising the same.

Effect of ortho-substituents on the stereochemistry of 2-(o-substituted phenyl)-1H-imidazoline-palladium complexes

Gan, Zhibin,Kawamura, Kenjiro,Eda, Kazuo,Hayashi, Masahiko

experimental part, p. 2022 - 2029 (2010/09/20)

Palladium complexes composed of [Pd(Ln)2Cl2] (n = 1, 2, 3, 4, 6), [L5a]2[PdCl4] and [Pd(L5b)2], where L1 = 4,5-dihydro-2-phenyl-1H-imidazole (=2-phenyl-1H-imidazoline), L2 = 2-(o-fluorophenyl)-1H-imidazoline, L3 = 2-(o-methylphenyl)-1H-imidazoline, L4 = 2-(o-tert-butylphenyl)-1H-imidazoline, L5a = 2-(o-hydroxyphenyl)-1H- imidazolinium, L5b = 2-(1H-imidazolin-2-yl)phenolate, and L6 = 2-(o-methylphenyl)-1H-imidazole, were synthesized. Molecular structures of the isolated palladium complexes were characterized by single crystal X-ray diffraction analysis. The effect of ortho-substituents on the phenyl ring on trans-chlorine geometry was noted for complexes [Pd(L1)2Cl 2] 1a and 1b, [Pd(L2)2Cl2] 2 and [Pd(L6) 2Cl2] 6, whereas cis-chlorine geometry was observed for [Pd(L3)2Cl2] 3 and [Pd(L4)2Cl2] 4. PdCl2 reacts with 2-(o-hydroxyphenyl)-1H-imidazoline in DMF to give [L5a]+ and [L5b]- so that [L5a]2[PdCl 4] 5a and [Pd(L5b)2] 5b were obtained. In complex 5b, as an N,O-bidentate ligand, two ligands L5b coordinated with the central Pd(II) ion in the trans-form. The coordination of PdCl2 with 2-(o-hydroxyphenyl)-1H-imidazolines in solution was investigated by NMR spectroscopy. Palladium complexes composed of [Pd(Ln)2Cl2] (n = 1, 2, 3, 4, 6), [L5a]2[PdCl4] and [Pd(L5b)2], where L1 = 4,5-dihydro-2-phenyl-1H-imidazole (= 2-phenyl-1H-imidazoline), L2 = 2-(o-fluorophenyl)-1H-imidazoline, L3 = 2-(o-methylphenyl)-1H-imidazoline, L4 = 2-(o-tert-butylphenyl)-1H-imidazoline, L5a = 2-(o-hydroxyphenyl)-1H-imidazolinium, L5b = 2-(1H-imidazolin-2-yl) phenolate, and L6 = 2-(o-methylphenyl)-1H-imidazole, were synthesized and characterized by single crystal X-ray diffractometry.

Superelectrophilic intermediates in nitrogen-directed aromatic borylation

De Vries, Timothy S.,Prokofjevs, Aleksandrs,Harvey, Jeremy N.,Vedejs, Edwin

supporting information; experimental part, p. 14679 - 14687 (2010/01/06)

The first examples of borylation under conditions of borenium ion generation from hydrogen-bridged boron cations are described. The observable H-bridged cations are generated by hydride abstraction from N,N-dimethylamine boranes Ar(CH2)nNMe2BH3 using Ph3C+ (C6F5)4B - (TrTPFPB) as the hydride acceptor. In the presence of excess TrTPFPB, the hydrogen-bridged cations undergo internal borylation to afford cyclic amine borane derivatives with n = 1-3. The products are formed as the corresponding cyclic borenium ions according to reductive quenching experiments and 11B and 1H NMR spectroscopy in the case with Ar = C6H5 and n = 1. The same cyclic borenium cation is also formed from the substrate with Ar = o-C6H4SiMe3 via desilylation, but the analogous system with Ar = o-C6H 4CMe3 affords a unique cyclization product that retains the tert-butyl substituent. An ortho-deuterated substrate undergoes cyclization with a product-determining isotope effect of kH/kD 2.8. Potential cationic intermediates have been evaluated using B3LYP/6-31G* methods. The computations indicate that internal borylation from 14a occurs via a C-H insertion transition state that is accessible from either the borenium π complex or from a Wheland intermediate having nearly identical energy. The Ar = o-C6H4SiMe3 example strongly favors formation of the Wheland intermediate, and desilylation occurs via internal SiMe3 migration from carbon to one of the hydrides attached to boron.

CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD

-

Page/Page column 14, (2008/12/05)

The present invention relates to a pyridazinone derivative which can be used as a caspase inhibitor, process for the preparation thereof, and pharmaceutical composition for inhibiting caspase comprising the same.

Diastereoselective remote C-H activation by hydroboration

Varela, Jesus A.,Pena, Diego,Goldfuss, Bernd,Denisenko, Dmitri,Kulhanek, Jiri,Polborn, Kurt,Knochel, Paul

, p. 4252 - 4264 (2007/10/03)

Hydroboration of tetrasubstituted or trisubstituted alkenes with BH 3 and subsequent thermolysis allows remote diastereoselective C-H activation of neighboring aryl rings. Tetrasubstituted and trisubstituted 1,1-diphenyl-ethylene derivatives undergo a highly stereoselective 1,2-rearrangement followed by remote C-H activation to lead, after oxidative workup, to a diol in which the relative stereochemistry of two stereocenters has been controlled. The mechanism of this remote activation has been studied and extended to related molecules that undergo this stereoselective C-H activation, namely alkenylbiphenyl systems or alkenes with only one phenyl ring, such as alkenylbenzenes. or bicyclic systems. We have shown that this reaction allows diastereoselective synthesis of molecules with up to three contiguous chiral centers.

Process for the preparation of 4-tert-butylbenzaldehyde

-

, (2008/06/13)

In a process for the preparation of 4-tert-butylbenzaldehyde in high yield and purity a) 4-tert-butyltoluene is brominated using bromine and without a solvent, to obtain a mixture consisting essentially of 4-tert-butylbenzalbromide and 4-tert-butylbenzylbromide; and b) the mixture obtained in step (a) is reacted with water and a Sommelet reagent, optionally in the presence of a co-solvent, to obtain the desired product.

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