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4-Isopropylbiphenyl, also known as 4-Isopropyl-1,1'-biphenyl or 1-Phenyl-4-isopropylbenzene, is a chemical compound that belongs to the biphenyls and derivatives class. It is an aromatic hydrocarbon with a molecular formula of C15H14, featuring two benzene rings connected by a single covalent bond and an isopropyl group attached to the fourth carbon of the biphenyl molecule. 4-Isopropylbiphenyl is characterized by its colorless to light yellow liquid appearance and possesses chemical properties that make it useful in various industrial applications. However, its toxicity and environmental impact must be considered, and it should be handled with care to ensure safe and effective use.

7116-95-2

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7116-95-2 Usage

Uses

Used in Chemical Synthesis:
4-Isopropylbiphenyl is used as a chemical intermediate for the synthesis of various organic compounds. Its unique structure allows it to be a valuable building block in the production of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Material Science:
4-Isopropylbiphenyl is used as a component in the development of advanced materials, such as polymers and composites, due to its aromatic nature and potential to enhance the properties of these materials.
Used in Research and Development:
4-Isopropylbiphenyl serves as a model compound in academic and industrial research, where it is used to study the properties and behavior of biphenyl derivatives and their potential applications in various fields.
Used in Analytical Chemistry:
4-Isopropylbiphenyl is used as a reference material in analytical chemistry for the calibration of instruments and the development of analytical methods, such as chromatography and spectroscopy, which are essential for the identification and quantification of compounds in complex mixtures.
Used in Environmental Monitoring:
4-Isopropylbiphenyl can be used as a tracer compound in environmental studies to monitor the fate and transport of pollutants in the environment, as well as to assess the effectiveness of remediation strategies.

Check Digit Verification of cas no

The CAS Registry Mumber 7116-95-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,1 and 6 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 7116-95:
(6*7)+(5*1)+(4*1)+(3*6)+(2*9)+(1*5)=92
92 % 10 = 2
So 7116-95-2 is a valid CAS Registry Number.
InChI:InChI=1/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3

7116-95-2 Well-known Company Product Price

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  • Alfa Aesar

  • (L14405)  4-Isopropylbiphenyl, 97%   

  • 7116-95-2

  • 1g

  • 365.0CNY

  • Detail
  • Alfa Aesar

  • (L14405)  4-Isopropylbiphenyl, 97%   

  • 7116-95-2

  • 5g

  • 1176.0CNY

  • Detail

7116-95-2SDS

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 4-Isopropylbiphenyl

1.2 Other means of identification

Product number -
Other names 1-phenyl-4-propan-2-ylbenzene

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:7116-95-2 SDS

7116-95-2Relevant academic research and scientific papers

Nickel-catalyzed reductive deoxygenation of diverse C-O bond-bearing functional groups

Cook, Adam,MacLean, Haydn,St. Onge, Piers,Newman, Stephen G.

, p. 13337 - 13347 (2021/11/20)

We report a catalytic method for the direct deoxygenation of various C-O bond-containing functional groups. Using a Ni(II) pre-catalyst and silane reducing agent, alcohols, epoxides, and ethers are reduced to the corresponding alkane. Unsaturated species including aldehydes and ketones are also deoxygenated via initial formation of an intermediate silylated alcohol. The reaction is chemoselective for C(sp3)-O bonds, leaving amines, anilines, aryl ethers, alkenes, and nitrogen-containing heterocycles untouched. Applications toward catalytic deuteration, benzyl ether deprotection, and the valorization of biomass-derived feedstocks demonstrate some of the practical aspects of this methodology.

Palladium supported on structurally stable phenanthroline-based polymer nanotubes as a high-performance catalyst for the aqueous Suzuki-Miyaura coupling reaction

Yang, Didi,Wang, Shuhui,Dan, Ting,Gao, Dashuang,Au, Chaktong,Zhang, Wanju,Zhang, Yan

, p. 12120 - 12128 (2021/07/19)

Though the Suzuki-Miyaura coupling reaction has intrinsic advantages in organic synthesis, it is still a challenging task to develop a highly active and truly heterogeneous catalyst for the aqueous Suzuki-Miyaura coupling reaction (SMR). In this work, a series of phenanthroline-based polymers (PBPs; PBP1 to PBP8) were synthesized by a simple one-step AlCl3-catalyzed Friedel-Crafts polymerization method. Systematic measurements of PBPs by N2adsorption-desorption isotherms, scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR) and thermogravimetric analysis (TGA) show that most of the PBPs have a nanosheet morphology, except PBP8 which has both one-dimensional nanotubular morphology and large surface area (745 m2g?1). Benefitting from the porous nanotube morphology and the two N atoms contained in the phenanthroline unit of the polymer structure, polymer PBP8 shows adsorption effects and strong chelating stabilization on the Pd active metal (size, 2-5 nm). The Pd/PBP8 catalyst exhibits superior catalytic activity within 2 h (TOF value: 3077 h?1) and reusability (7 cycles) in the SMR with typical reactants such as bromobenzene, phenylboronic acid and the base of K3PO4.3H2O at 30 °C in a solvent mixture of water and ethanol (VH2O?:?Vethanol= 3?:?2).

Site-Specific Oxidation of (sp3)C-C(sp3)/H Bonds by NaNO2/HCl

Zhao, Jianyou,Shen, Tong,Sun, Zhihui,Wang, Nengyong,Yang, Le,Wu, Jintao,You, Huichao,Liu, Zhong-Quan

supporting information, p. 4057 - 4061 (2021/05/26)

A site-specific oxidation of (sp3)C-C(sp3) and (sp3)C-H bonds in aryl alkanes by the use of NaNO2/HCl was explored. The method is chemical-oxidant-free, transition-metal-free, uses water as the solvent, and proceeds under mild conditions, making it valuable and attractive to synthetic organic chemistry.

Small organic molecules with tailored structures: Initiators in the transition-metal-free C-H arylation of unactivated arenes

Chen, Suqing,Chen, Wenjun,Chen, Yu,Liu, Zhenghui,Mu, Tiancheng,Wang, Peng,Yan, Zhenzhong

, p. 14500 - 14509 (2020/04/27)

Simple, small organic molecules containing nitrogen and oxygen atoms in their structures have been disclosed to catalyze transition-metal-free C-H arylation of unactivated arenes with aryl iodides in the presence of tBuOK. In this article, an optimized catalytically active molecule, (2-(methylamino)phenyl)methanol, was designed. A broad range of aryl iodides could be converted into the corresponding arylated products at 100 °C over 24 h with good to excellent yields. Mechanistic experiments verified that radicals participated in this catalytic transformation and that the cleavage of the aromatic C-H bond was not the rate determining step. A K+ capture experiment by 18-crown-6 emphasized the significance of the cation species of the strong base. Fourier transform infrared spectroscopy proved that the catalytic system was activated by the hydrogen bonds between small organic molecules and tBuOK. Also, a clear mechanism was proposed. This transition-metal-free method affords a promising system for efficient and inexpensive synthesis of biaryls via a user-friendly approach, as confirmed by scale-up experiments.

Generation of Alkyl Radical through Direct Excitation of Boracene-Based Alkylborate

Hashizume, Daisuke,Hosoya, Takamitsu,Nakamura, Kei,Ohmiya, Hirohisa,Sato, Yukiya,Sumida, Yuto

supporting information, p. 9938 - 9943 (2020/06/27)

The generation of tertiary, secondary, and primary alkyl radicals has been achieved by the direct visible-light excitation of a boracene-based alkylborate. This system is based on the photophysical properties of the organoboron molecule. The protocol is applicable to decyanoalkylation, Giese addition, and nickel-catalyzed carbon-carbon bond formations such as alkyl-aryl cross-coupling or vicinal alkylarylation of alkenes, enabling the introduction of various C(sp3) fragments to organic molecules.

Metal-free synthesis of biarenes via photoextrusion in di(tri)aryl phosphates

Qrareya, Hisham,Meazza, Lorenzo,Protti, Stefano,Fagnoni, Maurizio

supporting information, p. 3008 - 3014 (2021/01/18)

A metal-free route for the synthesis of biarenes has been developed. The approach is based on the photoextrusion of a phosphate moiety occurring upon irradiation of biaryl- A nd triaryl phosphates. The reaction involves an exciplex as the intermediate and it is especially suitable for the preparation of electron-rich biarenes.

C-C coupling formation using nitron complexes

Sevim, Mehmet,Kavukcu, Serdar Batikan,Kinal, Arma?an,?ahin, Onur,Türkmen, Hayati

supporting information, p. 16903 - 16915 (2020/12/18)

A series of RuII (1), RhIII (2), IrIII (3, 4), IrI (5) and PdII (6-9) complexes of the 'instant carbene' nitron were prepared and characterized by 1H- and 13C-NMR, FT-IR and elemental analysis. The molecular structures of complexes 1-4 and 6 were determined by X-ray diffraction studies. The catalytic activity of the complexes (1-9) was evaluated in alpha(α)-alkylation reactions of ketones with alcohol via the borrowing hydrogen strategy under mild conditions. These complexes were able to perform this catalytic transformation in a short time with low catalyst and base amounts under an air atmosphere. Also, the PdII-nitron complexes (6-9) were applied in the Suzuki-Miyaura C-C coupling reaction and these complexes successfully initiated this reaction in a short time (30 minutes) using the H2O/2-propanol (1.5?:?0.5) solvent system. The DFT calculations revealed that the Pd0/II/0 pathway was more preferable for the mechanism

Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp2-sp3 Cross-Coupling

Xu, Meng-Yu,Jiang, Wei-Tao,Li, Ying,Xu, Qing-Hao,Zhou, Qiao-Lan,Yang, Shuo,Xiao, Bin

supporting information, p. 7582 - 7588 (2019/05/16)

Pd-catalyzed cross-coupling reactions have achieved tremendous accomplishments in the past decades. However, C(sp3)-hybridized nucleophiles generally remain as challenging coupling partners due to their sluggish transmetalation compared to the C(sp2)-hybridized counterparts. While a single-electron-transfer-based strategy using C(sp3)-hybridized nucleophiles had made significant progress recently, fewer breakthroughs have been made concerning the traditional two-electron mechanism involving C(sp3)-hybridized nucleophiles. In this report, we present a series of unique alkyl carbagermatranes that were proven to be highly reactive in cross-coupling reactions with our newly developed electron-deficient phosphine ligands. Generally, secondary alkyl carbagermatranes show slightly lower, yet comparable activity to its Sn analogue. Meanwhile, primary alkyl carbagermatranes exhibit high activity, and they were also proved stable enough to be compatible with various reactions. Chiral secondary benzyl carbagermatrane gave the coupling product under base/additive-free conditions with its configuration fully inversed, suggesting that transmetalation was carried out in an "SE2(open) Inv" pathway, which is consistent with Hiyama's previous observation. Notably, the cross-coupling of primary alkyl carbagermatranes could be performed under base/additive-free conditions with excellent functional group tolerance and therefore may have potentially important applications such as stapled peptide synthesis.

Nickel-catalyzed C-N bond activation: Activated primary amines as alkylating reagents in reductive cross-coupling

Yue, Huifeng,Zhu, Chen,Shen, Li,Geng, Qiuyang,Hock, Katharina J.,Yuan, Tingting,Cavallo, Luigi,Rueping, Magnus

, p. 4430 - 4435 (2019/04/29)

Nickel-catalyzed reductive cross coupling of activated primary amines with aryl halides under mild reaction conditions has been achieved for the first time. Due to the avoidance of stoichiometric organometallic reagents and external bases, the scope regarding both coupling partners is broad. Thus, a wide range of substrates, natural products and drugs with diverse functional groups are tolerated. Moreover, experimental mechanistic investigations and density functional theory (DFT) calculations in combination with wavefunction analysis have been performed to understand the catalytic cycle in more detail.

Catalytic protodeboronation of pinacol boronic esters: Formal anti-Markovnikov hydromethylation of alkenes

Clausen, Florian,Kischkewitz, Marvin,Bergander, Klaus,Studer, Armido

, p. 6210 - 6214 (2019/06/27)

Pinacol boronic esters are highly valuable building blocks in organic synthesis. In contrast to the many protocols available on the functionalizing deboronation of alkyl boronic esters, protodeboronation is not well developed. Herein we report catalytic protodeboronation of 1°, 2° and 3° alkyl boronic esters utilizing a radical approach. Paired with a Matteson-CH2-homologation, our protocol allows for formal anti-Markovnikov alkene hydromethylation, a valuable but unknown transformation. The hydromethylation sequence was applied to methoxy protected (-)-Δ8-THC and cholesterol. The protodeboronation was further used in the formal total synthesis of δ-(R)-coniceine and indolizidine 209B.

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