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1-Phenyl-1-heptene, also known as α-Methylstyrene, is an organic compound with the molecular formula C13H16. It is a colorless liquid with a distinctive aromatic odor, derived from the combination of a phenyl group (C6H5) and a heptyl chain (C7H15). This chemical is primarily used as a monomer in the production of specialty polymers and copolymers, which are utilized in various applications such as adhesives, sealants, and coatings. Due to its reactive nature, 1-Phenyl-1-heptene can undergo various chemical reactions, including polymerization, hydrogenation, and halogenation. It is also used as a chemical intermediate in the synthesis of other organic compounds. However, it is important to note that 1-Phenyl-1-heptene is considered a hazardous substance due to its potential health risks, such as causing skin and eye irritation, and should be handled with proper safety measures.

829-99-2

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829-99-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 829-99-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,2 and 9 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 829-99:
(5*8)+(4*2)+(3*9)+(2*9)+(1*9)=102
102 % 10 = 2
So 829-99-2 is a valid CAS Registry Number.
InChI:InChI=1/C13H18/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6-12H,2-5H2,1H3/b10-7+

829-99-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name [(E)-hept-1-enyl]benzene

1.2 Other means of identification

Product number -
Other names Benzene,1-heptenyl

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:829-99-2 SDS

829-99-2Relevant academic research and scientific papers

Reactivity of mixed organozinc and mixed organocopper reagents: 14. Phosphine-nickel catalyzed aryl-allyl coupling of (n-butyl)(aryl)zincs. Ligand and substrate control on the group selectivity and regioselectivity

Kalkan, Melike,Erdik, Ender

, p. 28 - 36 (2016/06/09)

The group selectivity and regioselectivity in the allylation of mixed (n-butyl)(aryl)zinc reagents in THF depends on the nickel catalyst type and also on nature of the allylic substrate. Allylation of (n-butyl)(phenyl)zinc reagent with alkyl substituted primary allylic chlorides and acetates in the presence of NiCl2(dppf) catalysis affords the phenyl coupling product with γ-selectivity. However, allylation with aryl substituted primary allylic substrates results in both phenyl- and alkyl-coupling products with medium α-selectivity in the presence of NiCl2(dppf) catalysis whereas phenyl coupling product is formed with α-selectivity in the presence of NiCl2(Ph3P)2 catalysis. This new NiCl2(dppf) catalyzed protocol for γ-selective aryl allylation of (n-butyl)(aryl)zinc reagents with alkyl substituted primary allylic chlorides in THF at room temperature provides an atom economic alternative to allylation of (aryl)2Zn reagents. A mechanism for the dependence of group selectivity and regioselectivity of Ni catalyzed allylation of (n-butyl)(aryl)zinc reagents on the catalyst ligand and the substrate was proposed.

Improvements and Applications of the Transition Metal-Free Asymmetric Allylic Alkylation using Grignard Reagents and Magnesium Alanates

Grassi, David,Alexakis, Alexandre

supporting information, p. 3171 - 3186 (2015/11/03)

Two new N-heterocyclic carbene (NHC) ligands have been synthesized and employed in the transition metal-free asymmetric allylic alkylation (AAA) mediated by Grignard reagents and magnesium alanates. The employment of these ligands showed high yields and improved regio- and enantioselectivity in the formation of tertiary and quaternary stereocenters. Moreover, the low catalyst loading (up to 0.3 mol%) and high scalability (up to 10 mmol) of this improved methodology provide a convenient access to biologically active compounds and synthetically valuable intermediates.

Selective formation of non-conjugated olefins by samarium(II)-mediated elimination/isomerization of allylic benzoates

Schaefer, Sara L.,Roberts, Connor L.,Volz, Erasmus O.,Grasso, Monika R.,O'Neil, Gregory W.

, p. 6125 - 6128 (2013/10/22)

Aromatic allylic benzoates can be selectively transformed to the corresponding benzoate eliminated olefin by the action of samarium diiodide. Depending on the substrate and the elimination conditions, high selectivity for the non-conjugated alkene product

Copper-free asymmetric allylic alkylation with a grignard reagent: Design of the ligand and mechanistic studies

Grassi, David,Dolka, Chrysanthi,Jackowski, Olivier,Alexakis, Alexandre

supporting information, p. 1466 - 1475 (2013/02/25)

The Cu-free asymmetric allylic alkylation, catalysed by NHC, with Grignard reagents is reported on allyl bromide derivatives with good results. The enantioselectivity was quite homogeneous (around 85 % ee) on large and various substrates, regardless of the nature of the Grignard reagent. The formation of stereogenic quaternary centres was highly regioselective for both aliphatic and aromatic derivatives with good enantiomeric excess (up to 92 % ee). The methodology developed was found to be complementary with the Cu-catalysed version. Several new NHCs were tested with improved efficiency. In addition, mechanistic studies, using NMR spectroscopy, led to the discovery of the catalytically active species. Copyright

Synthesis of optically active β- Or γ-alkyl-substituted alcohols through copper-catalyzed asymmetric allylic alkylation with organolithium reagents

Guduguntla, Sureshbabu,Fananas-Mastral, Martin,Feringa, Ben L.

, p. 8274 - 8280 (2013/09/24)

An efficient one-pot synthesis of optically active β-alkyl-substituted alcohols through a tandem copper-catalyzed asymmetric allylic alkylation (AAA) with organolithium reagents and reductive ozonolysis is presented. Furthermore, hydroboration-oxidation following the Cu-catalyzed AAA leads to the corresponding homochiral γ-alkyl-substituted alcohols.

Enantioselective synthesis of tertiary and quaternary stereogenic centers: Copper/phosphoramidite-catalyzed allylic alkylation with organolithium reagents

Fananas-Mastral, Martin,Perez, Manuel,Bos, Pieter H.,Rudolph, Alena,Harutyunyan, Syuzanna R.,Feringa, Ben L.

supporting information; experimental part, p. 1922 - 1925 (2012/04/17)

An efficient and highly enantioselective copper-catalyzed allylic alkylation of disubstituted allyl halides with primary and secondary organolithium reagents using phosphoramidite ligands is reported. The use of trisubstituted allyl bromides allows, for the first time, the enantioselective synthesis of all-carbon quaternary stereogenic centers with these reactive organometallic reagents.

Chemoselective samarium-mediated benzoyloxysulfone eliminations

Volz, Erasmus O.,Oneil, Gregory W.

, p. 8428 - 8432 (2011/12/03)

An investigation of the substrate dependence on the rate of samarium-mediated reductive elimination of Β-acyloxysulfones has provided insights into the mechanism of this transformation and allowed for the development of a chemoselective elimination process.

Catalytic asymmetric carbong-carbon bond formation via allylic alkylations with organolithium compounds

Perez, Manuel,Fananas-Mastral, Martin,Bos, Pieter H.,Rudolph, Alena,Harutyunyan, Syuzanna R.,Feringa, Ben L.

experimental part, p. 377 - 381 (2012/01/06)

Carbon-carbon bond formation is the basis for the biogenesis of nature's essential molecules. Consequently, it lies at the heart of the chemical sciences. Chiral catalysts have been developed for asymmetric C-C bond formation to yield single enantiomers from several organometallic reagents. Remarkably, for extremely reactive organolithium compounds, which are among the most broadly used reagents in chemical synthesis, a general catalytic methodology for enantioselective C-C formation has proven elusive, until now. Here, we report a copper-based chiral catalytic system that allows carbon-carbon bond formation via allylic alkylation with alkyllithium reagents, with extremely high enantioselectivities and able to tolerate several functional groups. We have found that both the solvent used and the structure of the active chiral catalyst are the most critical factors in achieving successful asymmetric catalysis with alkyllithium reagents. The active form of the chiral catalyst has been identified through spectroscopic studies as a diphosphine copper monoalkyl species.

Copper-free asymmetric allylic alkylation with grignard reagents

Jackowski, Olivier,Alexakis, Alexandre

supporting information; experimental part, p. 3346 - 3350 (2010/07/15)

(Chemical Equation Presented) Open wide and say AAA: The copper-free asymmetric allylic alkylation reaction of Crignard reagents, catalyzed by N-heter-ocyclic carbenes, is reported for allyl bromide derivatives. This reaction offers good enantioselectivit

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