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Isoquinoline, 3-methyl-1-phenyl-, also known as 3-Methyl-1-phenylisoquinoline, is an organic compound with the chemical formula C15H13N. It is a derivative of isoquinoline, a heterocyclic aromatic organic compound with a benzene ring fused to a pyridine ring. The molecule features a methyl group at the 3-position and a phenyl group at the 1-position, which are both substituents attached to the isoquinoline core. Isoquinoline, 3-methyl-1-phenyl- is of interest in organic chemistry and medicinal chemistry due to its potential applications in the synthesis of various pharmaceuticals and agrochemicals. It is typically synthesized through various chemical reactions and can be used as a building block for more complex molecules.

1616-50-8

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1616-50-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1616-50-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,1 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1616-50:
(6*1)+(5*6)+(4*1)+(3*6)+(2*5)+(1*0)=68
68 % 10 = 8
So 1616-50-8 is a valid CAS Registry Number.

1616-50-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-phenyl-3-methylisoquinoline

1.2 Other means of identification

Product number -
Other names 3-methyl-1-phenylisoquinoline

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:1616-50-8 SDS

1616-50-8Downstream Products

1616-50-8Relevant academic research and scientific papers

Synthesis of rhodium(III)-catalyzed isoquinoline derivatives from allyl carbonates and benzimidates with hydrogen evolution

Dong, Lin,Li, Chao,Liu, Man,Xu, Hui-Bei,Zhang, Jing

, p. 1412 - 1416 (2020)

A novel Rh(iii)-catalyzed cascade C-H activation/cyclization approach to access isoquinoline derivatives from benzimidates and available allyl carbonates with the liberation of H2 has been realized. Allyl carbonates were first used as a versati

Cp*Co(III)-Catalyzed γ-Selective C-H Allylation/Hydroamination Cascade for the Synthesis of Dihydroisoquinolines

Choi, Suh Young,Kim, Hyeon Dae,Park, Jong-Un,Park, Sun-A,Kim, Ju Hyun

, p. 10038 - 10042 (2019/12/24)

A Cp*Co(III)-catalyzed γ-selective C-H allylation/hydroamination cascade toward the synthesis of 3,4-dihydroisoquinolines (DHIQs) has been successfully developed, starting from NH ketimines and allyl carbonates. Notably, highly efficient and γ-selective C-H allylations were accomplished using γ-substituted allyl reagents, thus overcoming the issues of poor α/γselectivity and low reactivity of previous transition metal-catalyzed C-H allylations. The stereochemistry of allyl carbonates was a crucial factor, and synthesis of the DHIQs was achieved using (Z)-allyl carbonates.

Light/Palladium-Promoted Benzylic C?H Acylation Using a Benzoyl Group as the Photo-Directing Group

Masuda, Yusuke,Ishida, Naoki,Murakami, Masahiro

supporting information, p. 403 - 406 (2019/01/22)

2-Methylphenyl ketones undergo site-selective acylation at the benzylic position when treated with acid anhydride under UV irradiation in the presence of a palladium catalyst. The benzoyl carbonyl group serves as the photo-directing group so that the ortho benzylic C?H bond is activated site-selectively.

One-Pot Trimetallic Relay Catalysis: A Unified Approach for the Synthesis of β-Carbolines and Other [c]-Fused Pyridines

Dhiman, Seema,Mishra, Uttam K.,Ramasastry

supporting information, p. 7737 - 7741 (2016/07/07)

A divergent strategy is presented for the synthesis of 1,3-di- and 1,3,4-trisubstituted β-carbolines through an unprecedented one-pot triple-orthogonal-metal relay catalysis, and 1,3-disubstituted 4-hydroxy-β-carbolines through a one-pot bimetallic relay

Rh-catalyzed sequential oxidative C-H activation/annulation with geminal-substituted vinyl acetates to access isoquinolines

Chu, Haoke,Sun, Song,Yu, Jin-Tao,Cheng, Jiang

supporting information, p. 13327 - 13329 (2015/08/24)

The concise synthesis of 3-substituted or non-C3-substituted isoquinolines through Rh-catalyzed sequential oxidative C-H activation/annulation with geminal-substituted vinyl acetates was developed with good functional group tolerance. The protocol was successfully applied to the total synthesis of the natural product papaverine.

Synthesis of pyridine and isoquinoline derivatives by the palladium-catalyzed cyclization of olefinic ketone O-pentafluorobenzoyloximes

Tsutsui, Hironori,Narasaka, Koichi

, p. 526 - 527 (2007/10/03)

Pyridines and isoquinolines are synthesized from olefinic ketone O-pentafluorobenzoyloximes by treatment with a catalytic amount of Pd(PPh3)4 in the presence of (n-Bu)4NCl and triethylamine.

A CONVENIENT SYNTHETIC METHOD OF 1,3-DISUBSTITUTED ISOQUINOLINES USING SILVER TRIFLUOROMETHANESULFONATE AS A KEY REAGENT

Sato, Tadashi,Tamura, Kunio,Nagayoshi, Kazuo

, p. 791 - 794 (2007/10/02)

1,3-Disubstituted isoquinolines were prepared under mild conditions from allylbenzenes and nitriles using silver trifluoromethanesulfonate and iodine.

A Reinvestigation of the Pictet-Gams Isoquinoline Synthesis. Part 2. Formation of Rearranged Isoquinolines: the Δ2-Oxazoline-Isoquinoline Transformation

Ardabilchi, Nasser,Fitton, Alan O.,Hadi, A. Hamid b. A.,Thompson, J. Robin

, p. 1710 - 1725 (2007/10/02)

Cyclisation of a series of 2-substituted 2-acylamino-1-arylalkan-1-ols using phosphorus pentaoxide in refluxing decalin is shown to lead to rearranged, i.e. 4-substituted, isoquinolines in addition to the anticipated 3-substituted isomers.The products arise largely via 5-phenyl-Δ2-oxazoline intermediates and the formation of the rearranged isoquionolines from these intermediates is fully discussed.The pathway is not substantially altered when 2-benzamido-1-methoxy-1-phenylalkanes are cyclised.

REACTION OF BENZYL KETONES WITH NITRILES IN PRESENCE OF POCl3

Zielinski, Wojciech

, p. 93 - 100 (2007/10/02)

The reaction of benzyl ketones with nitriles in presence of POCl3 has been examined.It has been found that intermediate N-styrylimidoyl dichlorophosphates formed under reaction conditions undergo further reactions to isoquinoline and pyrimidine derivatives and form the products of fragmentation and condensation.The effect of structure of the substrates on the relative ratios of the products formed has been discussed.

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