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8-(isopropyl)quinoline is an organic compound with the molecular formula C13H13N. It is a derivative of quinoline, a heterocyclic aromatic compound consisting of a benzene ring fused to a pyridine ring. The isopropyl group (-CH(CH3)2) is attached to the 8th position of the quinoline molecule, which is the carbon atom adjacent to the nitrogen atom in the pyridine ring. This chemical is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, as well as in materials science. It is characterized by its unique chemical properties, which can be exploited in the design of new compounds with specific functionalities.

6457-30-3

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6457-30-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6457-30-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,5 and 7 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6457-30:
(6*6)+(5*4)+(4*5)+(3*7)+(2*3)+(1*0)=103
103 % 10 = 3
So 6457-30-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-9H,1-2H3

6457-30-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-(isopropyl)quinoline

1.2 Other means of identification

Product number -
Other names 8-ISOPROPYL-QUINOLINE,GLC

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:6457-30-3 SDS

6457-30-3Relevant academic research and scientific papers

Non-electronic aromatic ring activation by simple steric repulsion between substituents in 1-methylquinolinium salt systems

Iwai, Kento,Yokoyama, Soichi,Asahara, Haruyasu,Nishiwaki, Nagatoshi

, p. 50 - 57 (2020/01/21)

A systematic study of non-electronic activation of an aromatic ring was performed using a series of 8-substituted 1-methylquinolinium salts. As the 8-substituent became bulkier, the quinoline framework was distorted by steric repulsion between substituents at the 1- A nd 8-positions. This was accompanied by lack of coplanarity, which brought about dearomatization. Consequently, quinolinium ions possessing a bulky 8-substituent exhibited high reactivity undergoing nucleophilic addition at the 2-position efficiently. We demonstrate that the activation was achieved sterically and not electronically.

Molybdenum-Catalyzed Deoxygenation of Heteroaromatic N-Oxides and Hydroxides using Pinacol as Reducing Agent

Rubio-Presa, Rubén,Fernández-Rodríguez, Manuel A.,Pedrosa, María R.,Arnáiz, Francisco J.,Sanz, Roberto

supporting information, p. 1752 - 1757 (2017/05/22)

A molybdenum-catalyzed deoxygenation of pyridine N-oxides and N-hydroxybenzotriazoles, as well as other azole N-oxides, has been developed using pinacol as an environmentally friendly oxo-acceptor. The only by-products are acetone and water making the process a convenient alternative to established protocols in terms of waste generation. The reaction is highly chemoselective and a variety of functional groups are tolerated. The processes are usually very clean allowing the isolation of the pure deoxygenated products after a simple extraction in most cases. (Figure presented.).

METHOD OF PREPARING SILYLATIVE-REDUCED N-HETEROCYCLIC COMPOUND USING ORGANOBORON CATALYST

-

Paragraph 237; 238; 239; 240, (2016/06/06)

Provided is a method of preparing a silylative-reduced N-heterocyclic compound by reducing an N-heteraromatic compound including a sp2 hybridized nitrogen atom while simultaneously introducing a silyl group into a beta-position with respect to a nitrogen atom of the N-heteroaromatic compound, using a silane compound, in the presence of an organoboron catalyst.

Highly Enantioselective Direct Synthesis of Endocyclic Vicinal Diamines through Chiral Ru(diamine)-Catalyzed Hydrogenation of 2,2′-Bisquinoline Derivatives

Ma, Wenpeng,Zhang, Jianwei,Xu, Cong,Chen, Fei,He, Yan-Mei,Fan, Qing-Hua

supporting information, p. 12891 - 12894 (2016/10/04)

An asymmetric hydrogenation of 2,2′-bisquinoline and bisquinoxaline derivatives, catalyzed by chiral cationic ruthenium diamine complexes, was developed. A broad range of chiral endocyclic vicinal diamines were obtained in high yields with excellent diastereo- and enantioselectivity (up to 93:7 dl/meso and >99 % ee). These chiral diamines could be easily transformed into a new class of chiral N-heterocyclic carbenes (NHCs), which are important but difficult to access.

Boron-catalyzed silylative reduction of quinolines: Selective sp3 C-Si bond formation

Gandhamsetty, Narasimhulu,Joung, Seewon,Park, Sung-Woo,Park, Sehoon,Chang, Sukbok

supporting information, p. 16780 - 16783 (2015/01/09)

A silylative reduction of quinolines to synthetically versatile tetrahydroquinoline molecules involving the formation of a C(sp3)-Si bond exclusively β to nitrogen is described. Triarylborane is a highly efficient catalyst (up to 1000 turnovers), and silanes serve as both a silyl source and a reducing reagent. The present procedure is convenient to perform even on a large scale with excellent stereoselectivity. Mechanistic studies revealed that the formation of a 1,4-addition adduct is rate-limiting while the subsequent C(sp3)-Si bond-forming step from the 1,4-adduct is facile.

Gold-catalyzed oxidative rearrangement involving 1,2-acyl migration: Efficient synthesis of functionalized dihydro-γ-carbolines from α-(2-indolyl) propargylic alcohols and imines

Wang, Lu,Xie, Xin,Liu, Yuanhong

supporting information, p. 13302 - 13306 (2014/01/06)

Smooth moves with a nifty side step: A gold-catalyzed transformation of α-(2-indolyl) propargylic alcohols with imines in the presence of the oxidant 8-isopropylquinoline N-oxide provided rapid access to highly functionalized dihydro-γ-carbolines (see scheme). The reaction mechanism is proposed to involve intermolecular trapping of an α-carbonyl gold carbenoid intermediate, followed by cyclization and a novel gold-assisted 1,2-acyl migration.

Nickel-catalyzed reductive coupling of aryl halides with secondary alkyl bromides and allylic acetate

Wang, Shulin,Qian, Qun,Gong, Hegui

supporting information; experimental part, p. 3352 - 3355 (2012/08/08)

A room-temperature Ni-catalyzed reductive method for the coupling of aryl bromides with secondary alkyl bromides has been developed, providing C(sp 2)-C(sp3) products in good to excellent yields. Slight modification of this protocol allows efficient coupling of activated aryl chlorides with cyclohexyl bromide and aryl bromides with allylic acetate.

Gold-catalyzed highly regioselective oxidation of C-C triple bonds without acid additives: Propargyl moieties as masked α,β-unsaturated carbonyls

Lu, Biao,Li, Chaoqun,Zhang, Liming

supporting information; experimental part, p. 14070 - 14072 (2011/01/04)

Gold-catalyzed intermolecular oxidations of internal alkynes have been achieved with high regioselectivities using 8-alkylquinoline N-oxides as oxidants and in the absence of acid additives. Synthetically versatile α,β-unsaturated carbonyls are obtained in good to excellent yields and with excellent E-selectivities. A range of functional groups such as THP, MOMO, N3, OTBS, and N-Boc are tolerated. This reaction allows α,β-unsaturated carbonyls to be masked as propargyl moieties, thus offering a practical solution to compatibility issues with these functional groups likely encountered in syntheses of complex structures.

Selectivity in the Hydrogenation of 6- and 8-Substituted-quinolines

Hoenel, Michael,Vierhapper, Friedrich W.

, p. 1933 - 1939 (2007/10/02)

Quinoline (1) and the 6- or 8-substituted-quinolines (2)-(14) (R = Me, Pri, But, Ph, OMe, OH, CF3, or F) were hydrogenated catalytically on platinum under either weakly basic (solvent MeOH) or strongly acidic (solvent CF3CO2H) conditions.In methanol the only product was the corresponding 1,2,3,4-tetrahydro-compound.In trifluoroacetic acid, compounds hydrogenated in the benzene ring were isolated as major products; both electron-withdrawing and electron-donating substituents at C-6 or C-8 cause (sometimes drastic) reduction in yield.The products were characterized by their 1H and 13C n.m.r. spectra.

Rhodium(I) Complexes of 8-Methyl-, 8-Ethyl-, and 8-Isopropyl-quinolines and Realated 2-Substituted Derivatives

Deeming, Antony J.,Rothwell, Ian P.

, p. 1259 - 1264 (2007/10/02)

The complexes have been prepared from on adding unidentate L (8-methyl-, -ethyl-, or -isopropyl-quinoline) or bidentate L (1,10-phenantroline or quinoline-2-carboxaldehide-N-methylimine). 8-Alkyl-substitution of the latter ligand gives the complexes as isomers with uni- and bi-dentate L respectively with relative stabilities of the unidentate form depending on the 8-substituent in the order Pri > Et > Me.Unidentate L is also favoured by replacing PPh3 by P(C6H11)3 but bidentate co-ordination is found using AsPh3 or PMe2Ph.Equilibrium constants for chloro-bridge cleavage of by 8-substituted and 2,8-disubstituted quinolines are reduced by increasing the size of the 8-susbtituent and even more by further introduction of a 2-methyl group.The contributions of distortions in the co-ordination to these changes in equilibrium constants are discussed.

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