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N-METHYL-N-BENZYLANILINE, also known as N-Benzyl-N-methylaniline, is a tertiary amine that serves as a valuable building block in the chemical industry. It is characterized by its unique molecular structure, which allows for various synthetic applications and reactions.

614-30-2

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614-30-2 Usage

Uses

Used in Pharmaceutical Industry:
N-METHYL-N-BENZYLANILINE is used as a synthetic building block for the preparation of fused tetrahydroquinolines. These compounds are of significant interest in the pharmaceutical industry due to their potential therapeutic properties and applications in the development of new drugs.
Used in Chemical Synthesis:
N-METHYL-N-BENZYLANILINE is used as a synthetic intermediate for the production of various organic compounds. Its unique structure allows for a wide range of reactions, making it a versatile component in the synthesis of different chemical products.
Used in Research and Development:
N-METHYL-N-BENZYLANILINE is employed as a research compound in the field of organic chemistry. It is utilized in the development of new synthetic methods, the study of reaction mechanisms, and the exploration of novel chemical properties.

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 2677, 1995 DOI: 10.1021/jo00114a014

Check Digit Verification of cas no

The CAS Registry Mumber 614-30-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,1 and 4 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 614-30:
(5*6)+(4*1)+(3*4)+(2*3)+(1*0)=52
52 % 10 = 2
So 614-30-2 is a valid CAS Registry Number.
InChI:InChI=1/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3

614-30-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name N-benzyl-N-methylaniline

1.2 Other means of identification

Product number -
Other names Benzenemethanamine,N-methyl-N-phenyl

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:614-30-2 SDS

614-30-2Relevant academic research and scientific papers

Iridium/graphene nanostructured catalyst for the: N -alkylation of amines to synthesize nitrogen-containing derivatives and heterocyclic compounds in a green process

Chen, Tsun-Ren,Chen, Yi-Sheng,Chen, Yu-Tung,Lee, Wen-Jen,Lin, Yen-Hsing,Wang, Hao-Chen

, p. 4760 - 4770 (2022/02/21)

A facile iridium/graphene-catalyzed methodology providing an efficient synthetic route for C-N bond formation is reported. This catalyst can directly promote the formation of C-N bonds, without pre-activation steps, and without solvents, alkalis and other additives. This protocol provides a direct N-alkylation of amines using a variety of primary and secondary alcohols with good selectivity and excellent yields. Charmingly, the use of diols resulted in intermolecular cyclization of amines, and such products are privileged structures in biologically active compounds. Two examples illustrate the advantages of this catalyst in organic synthesis: the tandem catalysis to synthesize hydroxyzine, and the intermolecular cyclization to synthesize cyclizine. Water is the only by-product, which makes this catalytic process sustainable and environmentally friendly. This journal is

Hydroborative reduction of amides to amines mediated by La(CH2C6H4NMe2-: O)3

Gong, Mingliang,Guo, Chenjun,Luo, Yunjie,Xie, Hongzhen,Zhang, Fangcao

, p. 779 - 791 (2022/01/22)

The deoxygenative reduction of amides to amines is a great challenge for resonance-stabilized carboxamide moieties, although this synthetic strategy is an attractive approach to access the corresponding amines. La(CH2C6H4NMe2-o)3, a simple and easily accessible lanthanide complex, was found to be highly efficient not only for secondary and tertiary amide reduction, but also for the most challenging primary reduction with pinacolborane. This protocol exhibited good tolerance for many functional groups and heteroatoms, and could be applied to gram-scale synthesis. The active species in this catalytic cycle was likely a lanthanide hydride.

Fe(III)-catalyzed Oxidative Povarov Reaction with Molecular Oxygen Oxidant

Park, Du Yong,Hwang, Joon Young,Kang, Eun Joo

supporting information, p. 798 - 801 (2021/04/09)

The synthesis of tetrahydroquinoline derivatives from dimethyl anilines and enamides has been developed by Fe(III)-phenanthroline complex under aerobic condition. The oxidation of tertiary anilines involving a single electron transfer of Fe(phen)3(PF6)3 afforded the iminium ion intermediate, which reacted with electron-rich alkenes to build a six-membered N-heterocycles containing quaternary carbon center via the oxidative Povarov reaction process.

Visible-Light-Driven Stereoselective Annulation of Alkyl Anilines and Dibenzoylethylenes via Electron Donor-Acceptor Complexes

Runemark, August,Zacharias, Savannah C.,Sundén, Henrik

, p. 1901 - 1910 (2021/02/05)

A catalyst-free, stereoselective visible-light-driven annulation reaction between alkenes and N,N-substituted dialkyl anilines for the synthesis of substituted tetrahydroquinolines is presented. The reaction is driven by the photoexcitation of an electron donor-acceptor (EDA) complex, and the resulting products are obtained in good to high yields with complete diastereoselectivity. Mechanistic rationale and photochemical characterization of the EDA-complex are provided.

Dirhodium-Catalyzed Chemo-and Site-Selective C-H Amidation of N, N-Dialkylanilines

Chen, Gong,Arai, Kenta,Morisaki, Kazuhiro,Kawabata, Takeo,Ueda, Yoshihiro

supporting information, p. 728 - 732 (2021/01/18)

A method for dirhodium-catalyzed C(sp 3)-H amidation of N, N-dimethylanilines was developed. Chemoselective C(sp 3)-H amidation of N-methyl group proceeded exclusively in the presence of C(sp 2)-H bonds of the electron-rich aromatic ring. Site-selective C(sp 3)-H amidation proceeded exclusively at the N-methyl group of N-methyl-N-Alkylaniline derivatives with secondary, tertiary, and benzylic C(sp 3)-H bonds α to a nitrogen atom.

Visible light-induced N-methyl activation of unsymmetric tertiary amines

Perumal, Gopi,Kandasamy, Mohanraj,Ganesan, Balaji,Govindan, Karthick,Sathya, Harsha,Hung, Min-Yuan,Chandru Senadi, Gopal,Wu, Ya-Ching,Lin, Wei-Yu

supporting information, (2021/01/09)

In the presence of methylene group, selective N-methyl activation of tertiary amines has been accomplished with the aid of visible light using organic photocatalyst under air. This protocol explores numerous aliphatic and aromatic substituted tetra-hydroquinoline analogues from various tertiary amines and maleimides. Furthermore, this approach was applied to activate the methyl group of N-methyl carbazole to generate the biologically active molecule.

CO2-tuned highly selective reduction of formamides to the corresponding methylamines

Chao, Jianbin,Guo, Zhiqiang,Pang, Tengfei,Wei, Xuehong,Xi, Chanjuan,Yan, Leilei

supporting information, p. 7534 - 7538 (2021/10/12)

We herein describe an efficient, CO2-tuned and highly selective C-O bond cleavage of N-methylated formanilides. With easy-to-handle and commercially available NaBH4 as the reductant, a variety of formanilides could be turned into the desired tertiary amines in moderate to excellent yields. The role of CO2 has been investigated in detail, and the mechanism is proposed on the basis of experiments.

Visible-Light-Induced C(sp2)-C(sp3) Cross-Dehydrogenative-Coupling Reaction of N-Heterocycles with N-Alkyl- N-methylanilines under Mild Conditions

Zhang, Hong-Yu,Chen, Jianjun,Lu, Cong-Cong,Han, Ya-Ping,Zhang, Yuecheng,Zhao, Jiquan

, p. 11723 - 11735 (2021/09/02)

Disclosed herein is a cross-dehydrogenative-coupling reaction of N-heterocycles including 1,2,4-triazine-3,5(2H, 4H)-diones and quinoxaline-2(1H)-ones with N-methylanilines to form C(sp2)-C(sp3) under visible-light illumination and ambient air at room temperature. In this process, easily available Ru(bpy)3Cl2·6H2O serves as the catalyst, and air acts as the green oxidant. This method features high atom economy, environmental friendliness, and convenient operation and provides an efficient and practical access to aminomethyl-substituted N-heterocycles with extensive functional group compatibility in 40-86% yields.

Reduction of Amides to Amines with Pinacolborane Catalyzed by Heterogeneous Lanthanum Catalyst La(CH2C6H4NMe2- o)3@SBA-15

Guo, Chenjun,Zhang, Fangcao,Yu, Chong,Luo, Yunjie

supporting information, p. 13122 - 13135 (2021/08/31)

Hydroboration of amides is a useful synthetic strategy to access the corresponding amines. In this contribution, it was found that the supported lanthanum benzyl material La(CH2C6H4NMe2-o)3@SBA-15 was highly active for the hydroboration of primary, secondary, and tertiary amides to amines with pinacolborane. These reactions selectively produced target amines and showed good tolerance for functional groups such as -NO2, -halogen, and -CN, as well as heteroatoms such as S and O. This reduction procedure exhibited the recyclable and reusable property of heterogeneous catalysts and was applicable to gram-scale synthesis. The reaction mechanisms were proposed based on some control experiments and the previous literature. This is the first example of hydroborative reduction of amides to amines mediated by heterogeneous catalysts.

Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst

Ahmed, Jasimuddin,Datta, Paramita,Das, Arpan,Jomy, Stephy,Mandal, Swadhin K.

, p. 3039 - 3049 (2021/03/14)

Since the early Hückel molecular orbital (HMO) calculations in 1950, it has been well known that the odd alternant hydrocarbon (OAH), the phenalenyl (PLY) system, can exist in three redox states: closed shell cation (12π e?), mono-reduced open shell neutral radical (13π e?) and doubly reduced closed shell anion (14π e?). Switching from one redox state of PLY to another leads to a slight structural change owing to its low energy of disproportionation making the electron addition or removal process facile. To date, mono-reduced PLY based radicals have been extensively studied. However, the reactivity and application of doubly reduced PLY species have not been explored so far. In this work, we report the synthesis of the doubly reduced PLY species (14π e?) and its application towards the development of redox catalysisviaswitching with the mono-reduced form (13π e?) for aryl halide activation and functionalization under transition metal free conditions without any external stimuli such as heat, light or cathodic current supply.

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