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3-(4-TERT-BUTYLPHENYL)-1-PROPENE, with the chemical formula C13H18, is an organic compound belonging to the alkene class. It features a benzene ring with a tert-butyl group attached to the fourth carbon atom and a propene group connected to the first carbon atom. 3-(4-TERT-BUTYLPHENYL)-1-PROPENE is known for its role in the synthesis of polymers, plastics, and other organic compounds, as well as serving as a reagent in various organic chemistry reactions and a precursor to a range of chemicals. Due to its potential hazards, it is crucial to handle 3-(4-TERT-BUTYLPHENYL)-1-PROPENE with care and follow safety guidelines.

27798-45-4

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27798-45-4 Usage

Uses

Used in Polymer and Plastics Industry:
3-(4-TERT-BUTYLPHENYL)-1-PROPENE is used as a monomer in the production of polymers and plastics for its ability to contribute to the formation of long-chain molecules that possess specific properties required in various applications.
Used in Organic Synthesis:
3-(4-TERT-BUTYLPHENYL)-1-PROPENE is used as a reagent in organic chemistry reactions, facilitating the synthesis of a variety of organic compounds due to its reactive alkene functional group and the presence of the tert-butylphenyl moiety.
Used in Chemical Intermediates Production:
As a precursor, 3-(4-TERT-BUTYLPHENYL)-1-PROPENE is utilized in the synthesis of other chemicals, playing a crucial role in the creation of intermediates that are vital for the production of pharmaceuticals, agrochemicals, and other specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 27798-45-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,7,7,9 and 8 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 27798-45:
(7*2)+(6*7)+(5*7)+(4*9)+(3*8)+(2*4)+(1*5)=164
164 % 10 = 4
So 27798-45-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H18/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h5,7-10H,1,6H2,2-4H3

27798-45-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-tert-butyl-4-prop-2-enylbenzene

1.2 Other means of identification

Product number -
Other names 1-(1,1-dimethylethyl)-4-(2-propenyl)benzene

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:27798-45-4 SDS

27798-45-4Relevant academic research and scientific papers

Manganese catalyzed dehydrogenative silylation of alkenes: Direct access to allylsilanes

Wu, Shang,Zhang, Ying,Jiang, Hongyan,Ding, Ning,Wang, Yanbin,Su, Qiong,Zhang, Hong,Wu, Lan,Yang, Quanlu

supporting information, (2020/06/03)

Dehydrogenative silylation of alkenes with silanes to produce allylsilanes is achieved through manganese catalysis with a wide scope of substrate tolerance. This transformation involves silane radicals initiated by manganese complex without additional oxidant additives. It offers a general, convenient and practical protocol with excellent functional group compatibility and gram-scale capacity for the modular synthesis of allylsilanes.

Palladium-catalyzed allylic C-H oxidation under simple operation and mild conditions

Guo, Yunlong,Shen, Zengming

supporting information, p. 3103 - 3107 (2019/03/26)

We discovered an effective and simple system (Pd/BQ/air/r.t.) for making allylic alcohols through Pd-catalyzed allylic C-H bond functionalization. This approach exhibits advantages due to its simple operation, mild conditions, and environmentally benign features. By modifying reaction conditions, it can be suitable for preparing unsaturated aldehydes, allylic esters, ethers, and amines.

Palladium-Catalyzed Oxidative Allylation of Sulfoxonium Ylides: Regioselective Synthesis of Conjugated Dienones

Li, Chunsheng,Li, Meng,Zhong, Wentao,Jin, Yangbin,Li, Jianxiao,Wu, Wanqing,Jiang, Huanfeng

supporting information, p. 872 - 875 (2019/05/16)

The first examples of palladium-catalyzed allylic C-H oxidative allylation of sulfoxonium ylides to afford the corresponding conjugated dienones with moderate to good yields have been established. The features of this novel conversion include mild reaction conditions, wide substrate scope, and excellent regioselectivity.

Palladium-catalyzed tandem isomerization/hydrothiolation of allylarenes

Kathe, Prasad M.,Fleischer, Ivana

supporting information, p. 2213 - 2217 (2019/03/26)

Herein we report a tandem olefin migration/hydrothiolation of allyl benzenes facilitated by an in situ generated palladium hydride. A catalyst system composed of palladium acetate and bidentate ligand dtbpx (1,2-bis(di-tert-butylphosphinomethyl)benzene in the presence of catalytic amounts of triflic acid led to the tandem transformation, which furnished benzylic thioethers. The reaction exhibits high regioselectivity and can be conducted under mild conditions. The robustness of the catalyst is displayed through reactions with coordinating thiols.

Exploiting the trifluoroethyl group as a precatalyst ligand in nickel-catalyzed Suzuki-type alkylations

Yang, Yi,Zhou, Qinghai,Cai, Junjie,Xue, Teng,Liu, Yingle,Jiang, Yan,Su, Yumei,Chung, Lungwa,Vicic, David A.

, p. 5275 - 5282 (2019/05/29)

We report herein the exploitment of the partially fluorinated trifluoroethyl as precatalyst ligands in nickel-catalyzed Suzuki-type alkylation and fluoroalkylation coupling reactions. Compared with the [LnNiII(aryl)(X)] precatalysts, the unique characters of bis-trifluoroethyl ligands imparted precatalyst [(bipy)Ni(CH2CF3)2] with bench-top stability, good solubilities in organic media and interesting catalytic activities. Preliminary mechanistic studies reveal that an eliminative extrusion of a vinylidene difluoride (VDF, CH2CF2) mask from [(bipy)Ni(CH2CF3)2] is a critical step for the initiation of a catalytic reaction.

Carbonylative Transformation of Allylarenes with CO Surrogates: Tunable Synthesis of 4-Arylbutanoic Acids, 2-Arylbutanoic Acids, and 4-Arylbutanals

Wu, Fu-Peng,Li, Da,Peng, Jin-Bao,Wu, Xiao-Feng

supporting information, p. 5699 - 5703 (2019/08/01)

In this Communication, procedures for the selective synthesis of 4-arylbutanoic acids, 2-arylbutanoic acids, and 4-arylbutanals from the same allylbenzenes have been developed. With formic acid or TFBen as the CO surrogate, reactions proceed selectively and effectively under carbon monoxide gas-free conditions.

Palladium-catalyzed oxidative allylation of bis[(pinacolato)boryl]methane: Synthesis of homoallylic boronic esters

Li, Chunsheng,Li, Meng,Li, Jianxiao,Wu, Wanqing,Jiang, Huanfeng

supporting information, p. 66 - 69 (2017/12/27)

A palladium-catalyzed oxidative allylation of bis[(pinacolato)boryl]methane to afford the corresponding homoallylic organoboronic esters with moderate to excellent yields is reported. This novel transformation provides an efficient strategy for the construction of homoallylic organoboronic esters in one step with a broad substrate scope. It is proposed that the palladium-catalyzed oxidative allylic C-H bond activation process may be involved in the catalytic cycle.

Nickel-Catalyzed Reductive Dicarbofunctionalization of Alkenes

García-Domínguez, Andrés,Li, Zhaodong,Nevado, Cristina

supporting information, p. 6835 - 6838 (2017/06/01)

An intermolecular, three-component reductive dicarbofunctionalization of alkenes is presented here. The combination of Ni catalysis with TDAE as final reductant enables the direct formation of Csp3-Csp3 and Csp3-Csp2 bonds across a variety of π-systems using two different electrophiles that are sequentially activated with exquisite selectivity under mild reaction conditions.

Palladium-catalyzed aerobic oxidative double allylic C-H oxygenation of alkenes: A novel and straightforward route to α,β-unsaturated esters

Yang, Wanfei,Chen, Huoji,Li, Jianxiao,Li, Chunsheng,Wu, Wanqing,Jiang, Huanfeng

supporting information, p. 9575 - 9578 (2015/06/08)

A mild tandem oxidative functionalization of allyl aromatic hydrocarbons was accomplished using the catalytic system of Pd(OAc)2/DMA under 1 atm O2. The green twofold C-O bond formation involving double allylic C-H oxygenation unlocks opportunities for markedly different synthetic strategies. Moreover, the reaction affords aryl α,β-unsaturated esters directly from readily available terminal olefins in moderate to good yields with excellent chemo- and stereoselectivities.

Aryl imidazylates and aryl sulfates as electrophiles in metal-free ArSN1 reactions

Qrareya, Hisham,Protti, Stefano,Fagnoni, Maurizio

, p. 11527 - 11533 (2015/01/16)

Some oxygen-bonded substituents were investigated as leaving groups in photoinduced ArSN1 reactions. Irradiation of aryl imidazylates and of the corresponding imidazolium salts mainly caused homolysis of the ArO-S bond. However, previously unexplored trifluoroethoxy aryl sulfates were found to undergo efficient metal-free arylation. The sulfates were conveniently generated in situ by dissolving the corresponding imidazolium salts in basic 2,2,2-trifluoroethanol.

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