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1-Phenyl-1-cyclohexene is a colorless to light yellow liquid that serves as a metabolite of Phencyclidine (P295500), an anesthetic. It is also utilized as a pharmaceutical intermediate, playing a crucial role in the synthesis of various pharmaceutical compounds.

771-98-2

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771-98-2 Usage

Uses

Used in Pharmaceutical Industry:
1-Phenyl-1-cyclohexene is used as a pharmaceutical intermediate for the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a key component in the development of new drugs and medications.
Used in Anesthetics:
As a metabolite of Phencyclidine (P295500), an anesthetic, 1-Phenyl-1-cyclohexene plays a role in the metabolism and effectiveness of this anesthetic agent. This makes it an important compound in the study and development of anesthetic drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 771-98-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,7 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 771-98:
(5*7)+(4*7)+(3*1)+(2*9)+(1*8)=92
92 % 10 = 2
So 771-98-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2

771-98-2 Well-known Company Product Price

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  • Alfa Aesar

  • (B20602)  1-Phenylcyclohexene, 97%   

  • 771-98-2

  • 5g

  • 421.0CNY

  • Detail
  • Alfa Aesar

  • (B20602)  1-Phenylcyclohexene, 97%   

  • 771-98-2

  • 25g

  • 1574.0CNY

  • Detail
  • Alfa Aesar

  • (B20602)  1-Phenylcyclohexene, 97%   

  • 771-98-2

  • 100g

  • 5766.0CNY

  • Detail

771-98-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Cyclohexen-1-Ylbenzene

1.2 Other means of identification

Product number -
Other names Benzene, 1-cyclohexen-1-yl-

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:771-98-2 SDS

771-98-2Relevant academic research and scientific papers

A new palladium-catalyzed phenyl-alkene bond formation

Schmor, Brad,Roy, Rene

, p. 433 - 436 (2002)

A new method of palladium-catalyzed phenyl-alkene bond formation is reported. This reaction involves transfer of all three phenyl groups from triphenylantimony onto alkenes containing allylic protons.

Ring Contraction of Tropylium Ions into Benzenoid Derivatives

Crocker, Reece D.,Dinh, An H.,Lyons, Demelza J. M.,Mai, Binh Khanh,Nguyen, Thanh Vinh,Ton, Nhan N. H.

supporting information, p. 2520 - 2525 (2022/04/12)

We report a method to convert substituted tropylium ions into benzenoid derivatives.

Lewis-Acid-Catalyzed Tandem Cyclization by Ring Expansion of Tertiary Cycloalkanols with Propargyl Alcohols

Kong, Xiangtao,Li, Xue-Song,Li, Yuke,Liang, Yong-Min,Liu, Hong-Chao,Niu, Zhi-Jie,Wang, Cui-Tian,Wei, Wan-Xu,Zhang, Zhe

supporting information, p. 9457 - 9462 (2021/12/14)

A new method for the efficient synthesis of hexahydro-1H-fluorene and octahydrobenzo[a]azulene derivatives through a ring-expansion strategy is reported. With an appropriate combination of thulium(III) trifluoromethanesulfonate and 13X molecular sieves, a range of unsaturated polycyclic compounds were obtained in good yields. Mechanism studies reveal that the reaction is more likely to undergo Meyer–Schuster rearrangement, ring expansion, and Friedel–Crafts-type pathways, which provide a conceptually different strategy for the ring opening of tertiary cycloalkanols.

Enantioselective Nickel-Catalyzed Alkyne-Azide Cycloaddition by Dynamic Kinetic Resolution

Liu, En-Chih,Topczewski, Joseph J.

supporting information, p. 5308 - 5313 (2021/05/04)

The triazole heterocycle has been widely adopted as an isostere for the amide bond. Many native amides are α-chiral, being derived from amino acids. This makes α-N-chiral triazoles attractive building blocks. This report describes the first enantioselective triazole synthesis that proceeds via nickel-catalyzed alkyne-azide cycloaddition (NiAAC). This dynamic kinetic resolution is enabled by a spontaneous [3,3]-sigmatropic rearrangement of the allylic azide. The 1,4,5-trisubstituted triazole products, derived from internal alkynes, are complementary to those commonly obtained by the related CuAAC reaction. Initial mechanistic experiments indicate that the NiAAC reaction proceeds through a monometallic Ni complex, which is distinct from the CuAAC manifold.

Three-Component Difunctionalization of Cyclohexenyl Triflates: Direct Access to Versatile Cyclohexenes via Cyclohexynes

Cho, Seoyoung,McLaren, E. J.,Wang, Qiu

, p. 26332 - 26336 (2021/11/10)

Difunctionalization of strained cyclic alkynes presents a powerful strategy to build richly functionalized cyclic alkenes in an expedient fashion. Herein we disclose an efficient and flexible approach to achieve carbohalogenation, dicarbofunctionalization, aminohalogenation and aminocarbonation of readily available cyclohexenyl triflates. We have demonstrated the novel use of zincate base/nucleophile system for effective formation of key cyclohexyne intermediates and selective addition of various carbon and nitrogen nucleophiles. Importantly, leveraging the resulting organozincates enables the incorporation of a broad range of electrophilic partners to deliver structurally diverse cyclohexene motifs. The importance and utility of this method is also exemplified by the modularity of this approach and the ease in which even highly complex polycyclic scaffolds can be accessed in one step.

Electro-mediated PhotoRedox Catalysis for Selective C(sp3)–O Cleavages of Phosphinated Alcohols to Carbanions

Barham, Joshua P.,K?nig, Burkhard,Karl, Tobias A.,Reiter, Sebastian,Tian, Xianhai,Yakubov, Shahboz,de Vivie-Riedle, Regina

supporting information, p. 20817 - 20825 (2021/08/18)

We report a novel example of electro-mediated photoredox catalysis (e-PRC) in the reductive cleavage of C(sp3)?O bonds of phosphinated alcohols to alkyl carbanions. As well as deoxygenations, olefinations are reported which are E-selective and can be made Z-selective in a tandem reduction/photosensitization process where both steps are photoelectrochemically promoted. Spectroscopy, computation, and catalyst structural variations reveal that our new naphthalene monoimide-type catalyst allows for an intimate dispersive precomplexation of its radical anion form with the phosphinate substrate, facilitating a reactivity-determining C(sp3)?O cleavage. Surprisingly and in contrast to previously reported photoexcited radical anion chemistries, our conditions tolerate aryl chlorides/bromides and do not give rise to Birch-type reductions.

Rhodium-Catalyzed Deoxygenation and Borylation of Ketones: A Combined Experimental and Theoretical Investigation

Tao, Lei,Guo, Xueying,Li, Jie,Li, Ruoling,Lin, Zhenyang,Zhao, Wanxiang

supporting information, p. 18118 - 18127 (2020/11/26)

The rhodium-catalyzed deoxygenation and borylation of ketones with B2pin2 have been developed, leading to efficient formation of alkenes, vinylboronates, and vinyldiboronates. These reactions feature mild reaction conditions, a broad substrate scope, and excellent functional-group compatibility. Mechanistic studies support that the ketones initially undergo a Rh-catalyzed deoxygenation to give alkenes via boron enolate intermediates, and the subsequent Rh-catalyzed dehydrogenative borylation of alkenes leads to the formation of vinylboronates and diboration products, which is also supported by density functional theory calculations.

Iodobenzene-catalyzed oxidative cleavage of olefins to carbonyl compounds

Du, Lele,Wang, Zechao,Wu, Junliang

supporting information, (2020/07/20)

A metal-free approach for the oxidative cleavage of carbon–carbon double bonds of olefins to carbonyl compounds was established by using oxidant m-CPBA and non-metallic organocatalyst PhI in toluene/H2O. A broad scope of aromatic olefins was used. All the reactions proceeded smoothly at 35 °C in short reaction time to furnish the respective mono- and double carbonyl compounds selectively in moderate to good yields.

Photochemical Flow Oximation of Alkanes

Griffiths, Oliver M.,Ruggeri, Michele,Baxendale, Ian R.

supporting information, p. 1907 - 1912 (2020/10/06)

The nitrosation of several alkanes using tert-butyl nitrite has been performed in flow showing a remarkable reduction in the reaction time compared with batch processing. Due to the necessity for large excesses of the alkane component a continuous recycling process was devised for the preparation of larger quantities of material.

Synthesis of multisubstituted cycloalkenes through carbomagnesiation of strained cycloalkynes

Hosoya, Takamitsu,Karaki, Fumika,Minami, Yasunori,Nishiyama, Yoshitake,Sakata, Yuki,Tamura, Yuya,Yoshida, Suguru

, p. 7147 - 7150 (2020/07/21)

An efficient synthetic method of seven- and six-membered cycloalkenes through the generation of strained cycloalkynes and following carbomagnesiation is described. Further bond formations of the resulting cycloalkenylmagnesium intermediates with a wide variety of electrophiles enabled us to prepare diverse cycloalkene derivatives including benzoxepine analogs having a fully substituted alkene structure.

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