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3-phenyl-1H-indene is a polycyclic aromatic hydrocarbon with the molecular formula C15H12. It is an indene, a type of aromatic hydrocarbon characterized by a six-membered benzene ring fused to a five-membered ring. This pale yellow to colorless liquid at room temperature is insoluble in water but soluble in organic solvents such as acetone, ethanol, and benzene. Due to its pleasant odor, it is commonly used in the production of synthetic flavors and fragrances, and also plays a role in the synthesis of pharmaceuticals and other organic compounds. Careful handling is required as it is a flammable liquid and can pose health hazards if inhaled or comes into contact with the skin.

1961-97-3

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1961-97-3 Usage

Uses

Used in Flavor and Fragrance Industry:
3-phenyl-1H-indene is used as a key component in the production of synthetic flavors and fragrances for its appealing scent, enhancing the sensory experience of various consumer products.
Used in Pharmaceutical Industry:
It serves as an intermediate in the synthesis of pharmaceuticals, contributing to the development of new drugs and improving existing ones.
Used in Organic Synthesis:
3-phenyl-1H-indene is utilized as a building block in the synthesis of other organic compounds, playing a crucial role in the creation of a wide range of chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 1961-97-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,9,6 and 1 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1961-97:
(6*1)+(5*9)+(4*6)+(3*1)+(2*9)+(1*7)=103
103 % 10 = 3
So 1961-97-3 is a valid CAS Registry Number.

1961-97-3SDS

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 3-phenyl-1H-indene

1.2 Other means of identification

Product number -
Other names 3-Phenylinden

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:1961-97-3 SDS

1961-97-3Relevant academic research and scientific papers

THE FACILE REARRANGEMENT OF 1-PHENYL-INDENE TO 3-PHENYL-INDENE INDUCED BY (CH3CN)3Cr(CO)3

Berno, Piero,Ceccon, Alberto,Gambaro, Alessandro,Venzo, Alfonso

, p. 3489 - 3492 (1988)

The rearrangement of 1-phenyl-indene to 3-phenyl-indene takes place at room temperature in THF if assisted by (CH3CN)3Cr(CO)3

Transfer of Chirality in the Rhodium-Catalyzed Chemoselective and Regioselective Allylic Alkylation of Hydroxyarenes with Vinyl Aziridines

Lin, Tao-Yan,Wu, Hai-Hong,Feng, Jian-Jun,Zhang, Junliang

, p. 2897 - 2900 (2017)

By taking advantage of chirality-transfer strategy, a chemo- and regioselective allylic alkylation of naphthols and phenols with vinylaziridines provides an atom-economic and efficient method for the synthesis of enantioenriched 2-vinyl-2-arylethylamine derivatives. Use of readily available starting materials, a broad substrate scope, high selectivity, mild reaction conditions, as well as versatile functionalizations of the aromatic ethylamine products make this approach very practical and attractive.

C15H10 and C15H12 Thermal Chemistry: Phenanthrylcarbene Isomers and Phenylindenes by Falling Solid Flash Vacuum Pyrolysis of Tetrazoles

Wentrup, Curt,Becker, Jürgen,Diehl, Manfred

, p. 7144 - 7149 (2015)

2-Phenyl-5-(phenylethynyl)tetrazole 44 provides a new entry to the C15H10 energy surface. Flash vacuum pyrolysis of 44 using the falling solid flash vacuum pyrolysis (FS-FVP) method afforded cyclopenta[def]phenanthrene 31 and cyclope

Zinc-Catalyzed Alkene Cyclopropanation through Zinc Vinyl Carbenoids Generated from Cyclopropenes

González, María J.,González, Javier,L?pez, Luís A.,Vicente, Rubén

, p. 12139 - 12143 (2015)

The zinc-catalyzed reaction of cyclopropenes with alkenes leading to vinylcyclopropane derivatives is reported. A broad range of alkenes (including highly substituted or functionalized alkenes) is compatible with this protocol. On the basis of trapping experiments and computational studies, this cyclopropanation reaction is proposed to proceed through initial formation of an electrophilic zinc vinyl carbenoid intermediate, which may be involved in a concerted cyclopropanation reaction. The reported protocol represents an unprecedented and simple strategy for the catalytic generation of zinc vinyl carbenoids, which are promising intermediates in organic synthesis.

Stereospecific Ring-Opening Metathesis Polymerization of Norbornene Catalyzed by Iron Complexes

Belov, Dmitry S.,Mathivathanan, Logesh,Beazley, Melanie J.,Martin, William Blake,Bukhryakov, Konstantin V.

, p. 2934 - 2938 (2021)

Developing well-defined iron-based catalysts for olefin metathesis would be a breakthrough achievement in the field not only to replace existing catalysts by inexpensive metals but also to attain a new reactivity taking advantage of the unique electronic

Rh(II)-Catalyzed Alkynylcyclopropanation of Alkenes by Decarbenation of Alkynylcycloheptatrienes

Echavarren, Antonio M.,Mato, Mauro,Montesinos-Magraner, Marc,Sugranyes, Arnau R.

supporting information, p. 10760 - 10769 (2021/07/28)

Alkynylcyclopropanes have found promising applications in both organic synthesis and medicinal chemistry but remain rather underexplored due to the challenges associated with their preparation. We describe a convenient two-step methodology for the alkynyl

The intramolecular reaction of acetophenoneN-tosylhydrazone and vinyl: Br?nsted acid-promoted cationic cyclization toward polysubstituted indenes

Wang, Zhixin,Li, Yang,Chen, Fan,Qian, Peng-Cheng,Cheng, Jiang

, p. 1810 - 1813 (2021/02/27)

In the presence of TsNHNH2, a Br?nsted acid-promoted intramolecular cyclization ofo-(1-arylvinyl) acetophenone derivatives was developed, leading to polysubstituted indenes with complexity and diversity in moderate to excellent yields. In sharp contrast with either the radical or carbene involved cyclization of aldehydicN-tosylhydrazone with vinyl, a cationic cyclization pathway was involved, whereN-tosylhydrazone served as an electrophile and alkylation reagent during this transformation.

Exploring the Labile Nature of 2,4,6-Trimethoxyphenyl Moiety in Allylic Systems under Acidic Conditions

Paul, Dipankar,Chatterjee, Paresh Nath

supporting information, p. 4705 - 4712 (2020/07/28)

An investigation of the unexpected lability of the Csp3–Csp2 bond connecting 2,4,6-trimethoxyphenyl group and an allylic moiety is carried out. We observed that the catalytic presence of either Lewis or Br?nsted acid can render such 2,4,6-trimethoxyphenyl group labile. Several nucleophiles were found to substitute the labile C–C bond in mild reaction conditions resulting in very good yields of the allylated products. Even in the absence of a nucleophile, intramolecular cyclization of the parent substrate under acidic activation caused the labile C–C bond to cleave. A major motivation of this study is to understand the lability of electron-rich aryl group in acidic medium, employing 2,4,6-trimethoxyphenyl moiety as a case study. A plausible mechanism is proposed after carrying out several control reactions as well as UV/Vis and 1H NMR spectroscopic studies. This work provides an insight into the activation of electron-rich arenes as a labile entity in acidic medium while also adding a conceptually novel C–C bond breaking approach to the vast literature of allylation of arenes.

C 1-Symmetric Si-bridged (2-indenyl)(1-indenyl) ansa -metallocenes as efficient ethene/1-hexene copolymerization catalysts

Borisov, Ilya S.,Busico, Vincenzo,Cipullo, Roberta,Ehm, Christian,Friederichs, Nic,Guzeev, Bogdan A.,Hendriksen, Coen,Mladentsev, Dmitry Y.,Uborsky, Dmitry V.,Vittoria, Antonio,Voskoboynikov, Alexander Z.

supporting information, p. 3015 - 3025 (2020/03/13)

In the search for more efficient single-center ethene/α-olefin copolymerization catalysts, metallocenes bearing a 2-indenyl substituent pattern have largely been ignored in the past. Here, we show that such a structural motif yields competent linear low-density polyethylene (LLDPE) catalysts. They are also relatively easy to synthesize, allowing for a wide structural amplification. A screening of 28 catalysts reveals that the lead catalyst in this study displays high comonomer affinity and molecular weight capability at industrially relevant temperatures. QSAR models show that steric factors likely contribute stronger than electronic factors to the observed substituent trends, both for comonomer affinity and MW capability.

DIMETHYL-SILYL-BRIDGED-1-SUBSTITUTED-2-INDENYL METALLOCENE COMPLEXES FOR OLEFIN POLYMERIZATION

-

Paragraph 0130-0132, (2020/05/02)

The invention relates to a metallocene complex according to formula A, wherein R1-R10 are independently selected from H, C1-C10 alkyl, C7-C20 Aralkyl groups, and C1-C10 alkoxy groups; wherein R11 is selected from methyl, ethyl, propyl, isopropyl, butyl, phenyl; wherein R1 and R2, R3 and R4, R4 and R5, R5 and R6, R7 and R8, R8 and R9, and/or R9 and R10 can be connected to form a ringstructure; wherein R0 is selected from a C1-C10 alkyl group or an aryl group wherein M is selected from Ti, Zr and Hf, X is an anionic ligand to M, z is the number of X groups and equals the valence of M minus 2. The invention further relates to a catalyst for preparing polyolefins, a process for polymerizing olefins and to polymers prepared by said catalyst system.

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