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Benzene, 1-methyl-4-(1,2-propadienyl)-, also known as 1-methyl-4-(1,2-propadienyl)benzene or alpha-methylstyrene, is an organic compound with the chemical formula C10H12. It is a colorless liquid with a strong, pungent odor and is derived from the substitution of a hydrogen atom in the benzene ring with a methyl group and a 1,2-propadienyl group. Benzene, 1-methyl-4-(1,2-propadienyl)- is an important intermediate in the synthesis of various chemicals, such as polymers and pharmaceuticals, and is used in the production of polystyrene and other styrene-based products. Due to its reactive nature, it is also considered a hazardous substance and requires proper handling and storage to prevent potential health and environmental risks.

2749-96-4

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2749-96-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2749-96-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,7,4 and 9 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2749-96:
(6*2)+(5*7)+(4*4)+(3*9)+(2*9)+(1*6)=114
114 % 10 = 4
So 2749-96-4 is a valid CAS Registry Number.

2749-96-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-methyl-4-propa-1,2-dienylbenzene

1.2 Other means of identification

Product number -
Other names 1-methyl-4-(propa-1,2-dien-1-yl)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:2749-96-4 SDS

2749-96-4Relevant academic research and scientific papers

Preparation of (E)-1,3-Enyne Derivatives through Palladium Catalyzed Hydroalkynylation of Allenes

Liu, Zhi-Kai,Yang, Ying,Zhan, Zhuang-Ping

supporting information, p. 1589 - 1597 (2022/01/20)

A general and efficient palladium catalyzed hydroalkynylation of allenes was developed to produce synthetically versatile (E)-1,3-enyne derivatives with high regio- and stereoselectivity. This catalytic system proceeded under mild conditions and was compatible with a broad range of substrates, especially for allenes without electron-bias groups. This work further broadens the synthetic potential of these scaffolds in organic synthesis and medicinal chemistry.

Photoredox Catalyzed Sulfonylation of Multisubstituted Allenes with Ru(bpy)3Cl2 or Rhodamine B

Chen, Jingyun,Chen, Shufang,Jiang, Jun,Lu, Qianqian,Shi, Liyang,Xu, Zekun,Yimei, Zhao

, (2021/11/09)

A highly regio- and stereoselective sulfonylation of allenes was developed that provided direct access to α, β-substituted unsaturated sulfone. By means of visible-light photoredox catalysis, the free radicals produced by p-toluenesulfonic acid reacted with multisubstituted allenes to obtain Markovnikov-type vinyl sulfones with Ru(bpy)3Cl2 or Rhodamine B as photocatalyst. The yield of this reaction could reach up to 91%. A series of unsaturated sulfones would be used for further transformation to some valuable compounds.

Indene formation upon borane-induced cyclization of arylallenes, 1,1-carboboration, and retro-hydroboration

Hasenbeck, Max,Wech, Felix,Averdunk, Arthur,Becker, Jonathan,Gellrich, Urs

supporting information, p. 5518 - 5521 (2021/06/12)

We herein report the reaction of arylallenes with tris(pentafluorophenyl)borane that yields pentafluorophenyl substituted indenes. The tris(pentafluorophenyl)borane induces the cyclization of the allene and transfers a pentafluorophenyl ring in the course of this reaction. A Hammett plot analysis and DFT computations indicate a 1,1-carboboration to be the C-C bond-forming step.

Polymerization of Allenes by Using an Iron(II) β-Diketiminate Pre-Catalyst to Generate High Mn Polymers

Durand, Derek J.,Webster, Ruth L.,Woof, Callum R.

, p. 12335 - 12340 (2021/07/19)

Herein, we report an iron(II)-catalyzed polymerization of arylallenes. This reaction proceeds rapidly at room temperature in the presence of a hydride co-catalyst to generate polymers of weight up to Mn=189 000 Da. We have determined the polymer structure and chain length for a range of monomers through a combination of NMR, differential scanning calorimetry (DSC) and gel permeation chromatography (GPC) analysis. Mechanistically, we postulate that the co-catalyst does not react to form an iron(II) hydride in situ, but instead the chain growth is proceeding via a reactive Fe(III) species. We have also performed kinetic and isotopic experiments to further our understanding. The formation of a highly unusual 1,3-substituted cyclobutane side-product is also investigated.

Copper(ii)-catalyzed protoboration of allenes in aqueous media and open air

Nekvinda, Jan,Santos, Webster L.,Snead, Russell F.

supporting information, p. 14925 - 14931 (2021/09/04)

A method has been developed for the facile Cu(ii)-catalyzed protoboration of monosubstituted allenes in aqueous media under atmospheric conditions. The reaction occurs site selectively, favoring internal alkene protoboration to afford 1,1-disubstituted vinylboronic acid derivatives (up to 93?:?7) with modest to good yields. The method has been applied to a variety of phenylallene derivatives as well as alkyl-substituted allenes. This journal is

Intermolecular Allene Functionalization by Silver-Nitrene Catalysis

Rodríguez, Manuel R.,Besora, María,Molina, Francisco,Maseras, Feliu,Díaz-Requejo, M. Mar,Pérez, Pedro J.

supporting information, p. 13062 - 13071 (2020/09/01)

Under silver catalysis conditions, using [Tp*,BrAg]2 as the catalyst precursor, allenes react with PhI═NTs in the first example of efficient metal-mediated intermolecular nitrene transfer to such substrates. The nature of the substituent at the allene seems crucial for the reaction outcome since arylallenes are converted into azetidine derivatives, whereas methylene aziridines are the products resulting from alkylallenes. Mechanistic studies allow proposing that azetidines are formed through unstable cyclopropylimine intermediates, which further incorporate a second nitrene group, both processes being silver-mediated. Methylene aziridines from alkylallenes derive from catalytic nitrene addition to the allene double bonds. Both routes have resulted to be productive for further synthetic transformations affording aminocyclopropanes.

Access to Stereodefined (E)-2-Silylallylboronates via Regioselective Chloroboration of Allenylsilanes

Yang, Zhantao,Liu, Tingjie,Chen, Xixi,Wan, Ranran,Li, Yang,Wang, Xianzhen,Yang, Chun-Hua,Chang, Junbiao

supporting information, p. 9541 - 9544 (2019/11/20)

A catalyst-free method for the highly regioselective chloroboration of allenylsilanes is described. In the presence of BCl3 and 2,6-lutidine, chloroboration of allenylsilanes proceeds smoothly without any catalyst, and the product could be treated with pinacol to afford the corresponding pinacol borates in one-pot reaction. This reaction provides a direct approach to construct valuable 2-silylallylboronate frameworks with operational simplicity and high atom-economy.

Trifluoromethylation of Allenes: An Expedient Access to α-Trifluoromethylated Enones at Room Temperature

Brochetta, Massimo,Borsari, Tania,Gandini, Andrea,Porey, Sandip,Deb, Arghya,Casali, Emanuele,Chakraborty, Arka,Zanoni, Giuseppe,Maiti, Debabrata

supporting information, p. 750 - 753 (2019/01/04)

A silver(I) catalyzed regioselective trifluoromethylation of allenes using Langlois's salt (NaOSOCF3) is demonstrated. This transformation enables direct expedient access to α-trifluoromethylated acroleins, which are valuable synthons for a number of pharmaceuticals and agrochemicals containing vinyl-CF3 moieties. Versatility of this trifluoromethylation method has been established with good yield and excellent regioselectivity. Preliminary experiments and computational studies were carried out to elucidate the mechanistic insight of this protocol.

Enantioselective Copper-Catalyzed Three-Component Carboboronation of Allenes: Access to Functionalized Dibenzo [b,f][1,4]oxazepine Derivatives

Deng, Hao,Meng, Ziwei,Wang, Sifan,Zhang, Zheming,Zhang, Yaqi,Shangguan, Yu,Yang, Fazhou,Yuan, Dekai,Guo, Hongchao,Zhang, Cheng

supporting information, p. 3582 - 3587 (2019/07/17)

A copper-catalyzed enantioselective three-component difunctionalization of allenes with seven-membered cyclic imines and bis(pinacolato)diboron (B2(Pin)2) to approach functionalized dibenzo[b,f][1,4]oxazepine derivatives is developed. The chiral products are obtained in up to 81% yield, >20:1 dr, and 98% ee when either a chiral diphosphine ligand or a chiral ferrocenyl-based P,N-ligand is used. Furthermore, the reaction exhibits reversed diastereoselectivities when the chiral diphosphine ligand and the chiral P,N-ligand are used respectively. (Figure presented.).

Borane-Induced Dimerization of Arylallenes

Tao, Xin,Daniliuc, Constantin G.,Dittrich, Dustin,Kehr, Gerald,Erker, Gerhard

supporting information, p. 13922 - 13926 (2018/10/05)

A series of arylallenes react with HB(C6F5)2 in a 2:1 molar ratio to give the tail-to-tail 1,6-diaryl-2-boryl-hexa-1,5-diene coupling products. The reaction of the phenylallene substrate with HB(C6F5)

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