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2,4-Di-tert-butylanisole, also known as DTBBA, is a chemical compound characterized by the presence of two tert-butyl groups attached to an anisole molecule. It is a colorless liquid with a distinctive sweet odor and is insoluble in water, yet readily soluble in organic solvents. 2,4-Di-tert-butylanisole is recognized for its applications in various consumer products and as an intermediate in the synthesis of other organic compounds.

17177-98-9

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17177-98-9 Usage

Uses

Used in Fragrance and Flavor Industry:
2,4-Di-tert-butylanisole is used as a fragrance or flavoring agent for its strong, sweet scent, enhancing the sensory appeal of perfumes, cosmetics, and food products.
Used in Pharmaceutical Production:
DTBBA serves as an intermediate in the synthesis of pharmaceuticals, contributing to the development of new medications and organic compounds that have potential health benefits.
However, it is important to note that exposure to high levels of 2,4-Di-tert-butylanisole may lead to irritation of the eyes, skin, and respiratory system, and prolonged exposure could have detrimental effects on human health. Therefore, strict adherence to proper handling and safety measures is essential when working with this chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 17177-98-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,1,7 and 7 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 17177-98:
(7*1)+(6*7)+(5*1)+(4*7)+(3*7)+(2*9)+(1*8)=129
129 % 10 = 9
So 17177-98-9 is a valid CAS Registry Number.

17177-98-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-ditert-butyl-1-methoxybenzene

1.2 Other means of identification

Product number -
Other names 2,4-di-t-butylanisole

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:17177-98-9 SDS

17177-98-9Relevant articles and documents

Properties and reactivity of zinc-folded sheet mesoporous materials

Laribi,Chenouf,Bachari,Hamani

, p. 1771 - 1780 (2013)

Mesoporous material incorporating zinc with different Si/Zn ratios = 95, 65, and 20 have been synthesized by intercalating kanemite using cetyltrimethylammonium bromide as the intercalating agent and zinc nitrate. The resulting materials were characterized by different techniques such as: inductively coupled plasma technique, XRD, Brunauer-Emmett-Teller, and a temperature-programmed-desorption of pyridine. The catalytic performance was studied in the vapor phase tert-butylation of anisole with tert-butanol at different temperatures under atmospheric pressure. The results indicate that Zn-FSM-16 (20) was found to be more active than its relatives. The major products are found to be 4-tert-butyl anisole (4-TBA), 2-tert-butyl anisole (2-TBA) and 2,4 di-tert-butyl-anisole (2,4-DTBA).

Synthesis and catalytic activity of rhenium carbonyl complexes containing alkyl-substituted tetramethylcyclopentadienyl ligands

Li, Zhan-Wei,Ma, Zhi-Hong,Li, Su-Zhen,Han, Zhan-Gang,Zheng, Xue-Zhong,Lin, Jin

, p. 137 - 144 (2017)

A series of six alkyl-substituted tetramethylcyclopentadienyl mononuclear metal carbonyl complexes [(η5-C5Me4R)Re(CO)3] [R?=?allyl (1), i-Pr (2), n-butyl (3), t-butyl (4), benzyl (5), CH(CH2)4 (6)] have been synthesized by treating the corresponding ligands (C5Me4R) [R?=?allyl, i-Pr, n-butyl, t-butyl, benzyl, CH(CH2)4] with Re2(CO)10 in refluxing xylene. The six new complexes were characterized by elemental analysis, IR, 1H NMR and 13C NMR spectroscopy. The crystal structures of all six complexes were determined by X-ray crystal diffraction analysis, showing that they have similar molecular structures, being mononuclear carbonyl complexes. In each of these complexes, the Re atom is η5-coordinated to the cyclopentadienyl ring. Complexes 1–5 have significant catalytic activity in Friedel–Crafts reactions of aromatic compounds with alkylation reagents. Compared with traditional catalysts, these mononuclear rhenium carbonyl complexes have obvious advantages such as lower amounts of catalyst, mild reaction conditions and environmentally friendly chemistry.

Biphenyltridentate phosphite ligand and preparation method and application thereof (by machine translation)

-

Paragraph 0121; 0126-0129, (2020/11/10)

The invention discloses a biphenyl tridentate phosphite ligand and a preparation method and application thereof, wherein the biphenyltridentate phosphite ligand has the structure shown in a formula (I), and the ligand has extremely stable water oxygen. The catalyst is not easy to decompose and has good catalytic activity. (by machine translation)

Biphenol compound as well as preparation method and application thereof

-

Paragraph 0133; 0138-0141, (2020/10/20)

The invention discloses a biphenyl triphenol compound. The compound has a structure as shown in the following formula (I). The biphenyl triphenol compound provided by the invention is an important intermediate for synthesizing a tridentate phosphite ligand of a biphenyl frame, and plays an important role in hydroformylation reaction and industrial application thereof. The invention also provides preparation methods of various biphenol compounds, including an oxidative coupling method; the oxidative coupling method provided by the invention can be used for synthesizing the biphenol compounds inone step; and the method has the advantages of cheap and easily available catalyst, simple operation, good yield, low cost and large-scale preparation.

Chiral 2-(2-hydroxyaryl)alcohols (HAROLs) with a 1,4-diol scaffold as a new family of ligands and organocatalysts

Dilek, ?mer,Tezeren, Mustafa A.,Tilki, Tahir,Ertürk, Erkan

supporting information, p. 268 - 286 (2017/12/06)

Efficient and modular syntheses of chiral 2-(2-hydroxyaryl)alcohols (HAROLs), novel 1,4-diols carrying one phenolic and one alcohol hydroxyl group, have been developed which led to generation of a small library of structurally diverse HAROLs in enantiomerically pure form. Of the different HAROLs examined, a HAROL based on the indan backbone exhibited the highest activity and enantioselectivity in the 1,2-addition of certain organometallic compounds to aldehydes in the presence of Ti(OiPr)4 (up to 97% y, 88% ee) and performed as a hydrogen-bond donor organocatalyst in the Morita-Baylis-Hillman reaction, promoted by trialkylphosphines.

Air-Stable Blue Phosphorescent Tetradentate Platinum(II) Complexes as Strong Photo-Reductant

Li, Kai,Wan, Qingyun,Yang, Chen,Chang, Xiao-Yong,Low, Kam-Hung,Che, Chi-Ming

supporting information, p. 14129 - 14133 (2018/10/15)

Strong photo-reductants have applications in photo-redox organic synthesis involving reductive activation of C?X(halide) and C=O bonds. We report herein air-stable PtII complexes supported by tetradentate bis(phenolate-NHC) ligands having peripheral electron-donating N-carbazolyl groups. Photo-physical, electrochemical, and computational studies reveal that the presence of N-carbazolyl groups enhances the light absorption and redox reversibility because of its involvement into the frontier MOs in both ground and excited states, making the complexes robust strong photo-reductant with E([Pt]+/*) over ?2.6 V vs. Cp2Fe+/0. The one-electron reduced [Pt]? species are stronger reductants with EPC([Pt]0/?) up to ?3.1 V vs. Cp2Fe+/0. By virtue of the strong reducing nature of these species generated upon light excitation, they can be used in light-driven reductive coupling of carbonyl compounds and reductive debromination of a wide range of unactivated aryl bromides.

Syntheses, structures and catalytic activity for Friedel-Crafts reactions of substituted indenyl rhenium carbonyl complexes

Ma, Zhihong,Zhang, Xinli,Wang, Hong,Han, Zhangang,Zheng, Xuezhong,Lin, Jin

, p. 709 - 721 (2017/02/05)

The complexes [(η5-C9H6R)Re(CO)3] [R?=?nBu (8), tBu (9), CH(CH2)4 (10), Ph (11), Bz (12), 4-methoxyphenyl (13), 4-chlorophenyl (14)] were synthesized by refluxing substituted indenyl ligands [C9H7R] [R?=?nBu (1), tBu (2), CH(CH2)4 (3), Ph (4), Bz (5), 4-methoxyphenyl (6), 4-chlorophenyl (7)], and Re2(CO)10 in decalin. The molecular structures of 9, 10, 12, and 13 were determined by X-ray diffraction analysis. These four crystals have similar molecular structures of the mononuclear carbonyl complex. In each of these molecules, Re is η5-coordinated to the five-membered ring of the indenyl group. Complexes 8–14 have catalytic activity for Friedel-Crafts reactions of aromatic compounds with a variety of alkylation and acylation reagents. Compared with traditional catalysts, these mononuclear metal carbonyl complexes have obvious advantages such as high activities, mild reaction conditions, high selectivity, and environmentally friendly chemistry.

Synthesis and catalytic activity of monobridged bis(cyclopentadienyl)rhenium carbonyl complexes

Li, Zhen,Ma, Zhi-Hong,Wang, Hong,Han, Zhan-Gang,Zheng, Xue-Zhong,Lin, Jin

, p. 647 - 653 (2016/07/29)

Thermal treatment of three monobridged biscyclopentadienes (C5H5)R(C5H5) [R?=?C(CH3)2 (1), C(CH2)5 (2), Si(CH3)2 (3)] with Re2(CO)10 in refluxing mesitylene gave the corresponding complexes [(η5-C5H4)2R][Re(CO)3]2 [R?=?C(CH3)2 (4), C(C5H10) (5), Si(CH3)2 (6)], which were separated by chromatography, and characterized by elemental analysis, IR, and 1H NMR spectroscopy. The molecular structures of complexes 5 and 6 were characterized by X-ray crystal diffraction analysis and show that both are monobridged bis(cyclopentadienyl)rhenium carbonyl complexes in which the molecule consists of two [(η5-C5H4)Re(CO)3] moieties linked by a single bridge, in which each of the two Re(CO)3 units is coordinated to the cyclopentadienyl ring in an η5 mode. All three of these monobridged bis(cyclopentadienyl)rhenium carbonyl complexes have good catalytic activities in Friedel–Crafts alkylation reactions.

Regioselective ring-opening of epoxides with ortho-lithioanisoles catalyzed by BF3·OEt2

Ertürk, Erkan,Tezeren, Mustafa A.,Atalar, Taner,Tilki, Tahir

body text, p. 6463 - 6471 (2012/08/27)

It is presented that a number of o-2-hydroxyalkylanisoles could be efficiently synthesized through the regioselective ring-opening reaction of epoxides with o-lithioanisoles in the presence of BF3·OEt 2 Lewis-acid catalyst. Sterically demanding o-lithioanisoles had to be generated by exploiting the combination of nBuLi and a catalytic amount of TMEDA (0.20 equiv) in Et2O as the lithiator whereas 'normal' anisole could be lithiated at ortho-position by treatment with nBuLi in THF as usual. Surprisingly, the availability of THF and a catalytic amount of TMEDA (0.20 equiv) in the reaction mixture was found to enhance the reaction yields dramatically. A complex aggregate formation by the co-operative ligation of THF and TMEDA to ortho-lithioanisole(s) was proposed to rationalize the high reactivity achieved in the ring-opening reaction of epoxides.

Layered double hydroxide-supported l-methionine-catalyzed chemoselective o-methylation of phenols and esterification of carboxylic acids with dimethyl carbonate: A "green" protocol

Dhakshinamoorthy, Amarajothi,Sharmila, Alagarsamy,Pitchumani, Kasi

supporting information; experimental part, p. 1128 - 1132 (2010/06/13)

" Chemical equation presented" Simple methodology: A layered double hydroxide-supported L-methionine (LDH-Met) catalyst is designed in a simple methodology to explore its synthetic utility in biologically relevant reactions. The organocatalyst is characterized by FT-IR, TGA/DTA, powder XRD, and EDX spectroscopic techniques. This material has been successfully utilized for the preparation of aryl methyl ethers and esters from the corresponding phenols and carboxylic acids, respectively, in moderate to high yields (see scheme).

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