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N-METHYLANILINE HYDROCHLORIDE is an organic compound with the chemical formula C7H10ClN. It is a derivative of aniline, where one hydrogen atom of the amino group is replaced by a methyl group. N-METHYLANILINE HYDROCHLORIDE is a white crystalline solid and is known for its various applications in the pharmaceutical and chemical industries.

2739-12-0

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2739-12-0 Usage

Uses

Used in Pharmaceutical Industry:
N-METHYLANILINE HYDROCHLORIDE is used as an antithrombotic drug for the prevention and treatment of blood clots. It helps in reducing the risk of heart attacks, strokes, and other thrombotic disorders by inhibiting platelet aggregation and blood coagulation.
Used in Synthesis of Argatroban Monohydrate:
In the pharmaceutical industry, N-METHYLANILINE HYDROCHLORIDE is also utilized in the synthesis method of argatroban monohydrate, which is another antithrombotic drug. Argatroban monohydrate is used to treat patients with heparin-induced thrombocytopenia, a rare but serious blood clotting disorder. The catalytic reduction process involving N-METHYLANILINE HYDROCHLORIDE contributes to the production of this life-saving medication.

Purification Methods

Crystallise the salt from dry *benzene/CHCl3 and dry under vacuum. [Beilstein 12 IV 241.]

Check Digit Verification of cas no

The CAS Registry Mumber 2739-12-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,7,3 and 9 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2739-12:
(6*2)+(5*7)+(4*3)+(3*9)+(2*1)+(1*2)=90
90 % 10 = 0
So 2739-12-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H9N.ClH/c1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;1H

2739-12-0SDS

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-methylaniline,hydrochloride

1.2 Other means of identification

Product number -
Other names N-methyl-benzenamine,hydrochloride

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:2739-12-0 SDS

2739-12-0Relevant academic research and scientific papers

N-Methylaniline-induced Si-Si bond cleavages of perchlorooligosilanes

Park, Sung Jin,Choi, Jong Min,Cho, Hyeon Mo,Kim, Cheol Hyun,Lee, Myong Euy

, p. 140 - 144 (2014)

This study describes Si-Si bond cleavage of perchlorooligosilane using an amine. N-Methylaniline-induced Si-Si bond cleavage reactions of cyclic perchlorosilanes Si5Cl10 (1) and Si4Cl 8 (2), and acyclic perchlor

N-Methylation and Trideuteromethylation of Amines via Magnesium-Catalyzed Reduction of Cyclic and Linear Carbamates

Magre, Marc,Szewczyk, Marcin,Rueping, Magnus

supporting information, p. 3209 - 3214 (2020/04/10)

A new reduction of carbamates to N-methyl amines is presented. The magnesium-catalyzed reduction reaction allows the conversion of cyclic and linear carbamates, including N-Boc protected amines, into the corresponding N-methyl amines and amino alcohols which are of significant interest due to their presence in many biologically active molecules. Furthermore, the reduction can be extended to the formation of N-trideuteromethyl labeled amines.

Formal Aniline Synthesis from Phenols through Deoxygenative N-Centered Radical Substitution

Lardy, Samuel W.,Luong, Kristine C.,Schmidt, Valerie A.

supporting information, p. 15267 - 15271 (2019/12/11)

Phenolic, lignin-derived substrates have emerged as desirable biorenewable chemical feedstocks for coupling reactions. A radical-mediated conversion of phenol derivatives to anilines is reported, using unfunctionalized hydroxamic acids as the N-centered radical source. The applicability of this triethyl phosphite mediated O-atom transfer approach, which tolerates a range of steric and electronic demands to naturally occurring phenols and lignin models, has been demonstrated in this work to access the corresponding aniline derivatives.

N -Monomethylation of amines using paraformaldehyde and H2

Wang, Hongli,Huang, Yongji,Dai, Xingchao,Shi, Feng

supporting information, p. 5542 - 5545 (2017/07/06)

The selective N-monomethylation of amines is an important topic in fine chemical synthesis. Herein, for the first time, we described a selective N-monomethylation reaction of amines with paraformaldehyde and H2 in the presence of a CuAlOx catalyst. A variety of amines, including primary aromatic amines, benzylamine and cyclohexylamine, as well as secondary amines, have been shown to be compatible with this reaction.

High-throughput approach for the identification of anilinium-based ionic liquids that are suitable for electropolymerisation

Abdelhamid, Muhammad E.,Murdoch, Timothy,Greaves, Tamar L.,O'Mullane, Anthony P.,Snook, Graeme A.

, p. 17967 - 17972 (2015/07/07)

We report the synthesis of new protic ionic liquids (PILs) based on aniline derivatives and the use of high-throughput (HT) techniques to screen possible candidates. In this work, a simple HT method was applied to rapidly screen different aniline derivatives against different acids in order to identify possible combinations that produce PILs. This was followed by repeating the HT process with a Chemspeed robotic synthesis platform for more accurate results. One of the successful combinations were then chosen to be synthesised on a larger scale for further analysis. The new PILs are of interest to the fields of ionic liquids, energy storage and especially, conducting polymers as they serve as solvents, electrolytes and monomers at the same time for possible electropolymerisation (i.e. a self-contained polymer precursor).

Magnesium-catalyzed mild reduction of tertiary and secondary amides to amines

Lampland, Nicole L.,Hovey, Megan,Mukherjee, Debabrata,Sadow, Aaron D.

, p. 4219 - 4226 (2015/11/11)

The first example of a catalytic hydroboration of amides for their deoxygenation to amines is reported. This transformation employs an earth-abundant magnesium-based catalyst. Tertiary and secondary amides are reduced to amines at room temperature in the presence of pinacolborane (HBpin) and catalytic amounts of ToMMgMe (ToM = tris(4,4-dimethyl-2-oxazolinyl)phenylborate). Catalyst initiation and speciation is complex in this system, as revealed by the effects of concentration and order of addition of the substrate and HBpin in the catalytic experiments. ToMMgH2Bpin, formed from ToMMgMe and HBpin, is ruled out as a possible catalytically relevant species by its reaction with N,N-dimethylbenzamide, which gives Me2NBpin and PhBpin through C-N and C-C bond cleavage pathways, respectively. In that reaction, the catalytic product benzyldimethylamine is formed in only low yield. Alternatively, the reaction of ToMMgMe and N,N-dimethylbenzamide slowly gives decomposition of ToMMgMe over 24 h, and this interaction is also ruled out as a catalytically relevant step. Together, these data suggest that catalytic activation of ToMMgMe requires both HBpin and amide, and ToMMgH2Bpin is not a catalytic intermediate. With information on catalyst activation in hand, tertiary amides are selectively reduced to amines in good yield when catalytic amounts of ToMMgMe are added to a mixture of amide and excess HBpin. In addition, secondary amides are reduced in the presence of 10 mol % ToMMgMe and 4 equiv of HBpin. Functional groups such as cyano, nitro, and azo remain intact under the mild reaction conditions. In addition, kinetic experiments and competition experiments indicate that B-H addition to amide C-O is fast, even faster than addition to ester C=O, and requires participation of the catalyst, whereas the turnover-limiting step of the catalyst is deoxygenation.

Selective monomethylation of primary amines with simple electrophiles

Lebleu, Thomas,Ma, Xiaolu,Maddaluno, Jacques,Legros, Julien

supporting information, p. 1836 - 1838 (2014/02/14)

Direct monomethylation of primary amines with methyl triflate was achieved with high selectivity (up to 96%). The key point of this single methyl transfer stems from the use of HFIP as the solvent that interferes with amines and avoids overmethylation.

Nucleophilic substitution reaction at the nitrogen of arylsulfonamides with phosphide anion

Yoshida, Suguru,Igawa, Kazunobu,Tomooka, Katsuhiko

supporting information, p. 19358 - 19361 (2013/02/22)

A novel nucleophilic substitution reaction at the nitrogen of arylsulfonamides by means of phosphide anions has been described. This reaction allows for the efficient transformation of arylsulfonamides into synthetically valuable phosphamides, amines, and a variety of protected amines.

Synthetic routes to, transformations of, and rather surprising stabilities of (N-Methyl-N-phenylcarbamoyl)sulfenyl Chloride, ((N-Methyl-N-phenylcarbamoyl) dithio)carbonyl chloride, and related compounds

Schrader, Alex M.,Schroll, Alayne L.,Barany, George

, p. 7882 - 7892 (2011/12/14)

(Figure presented) The title compound classes, (carbamoyl)sulfenyl chlorides and ((carbamoyl)dithio)carbonyl chlorides, have been implicated previously as unstable, albeit trappable, intermediates in organosulfur chemistry. The presentwork reports for each of these functional groups: (i) several routes to prepare it in the N-methylaniline family; (ii) its direct structural characterization by several spectroscopic techniques; (iii) its rather unexpected stability and its ultimate fatewhen it decomposes; (iv) a series of further chemical transformations that give highly stable derivatives, each in turn subject to thorough characterization. Relevant kinetic and mechanistic experiments were carried out, including some with p-methyl- and 2,6-dimethyl-substituted N-methylanilines. Given that the title compounds can be isolated and are relatively stable, they may find applications in the preparation of thiolyzable and/or photolabile protecting groups for the sulfhydryl function of cysteine and for the development of new protein synthesis and modification reagents

Efficient, direct α-methylenation of carbonyls mediated by diisopropylammonium trifluoroacetate

Bugarin, Alejandro,Jones, Kyle D.,Connell, Brian T.

supporting information; experimental part, p. 1715 - 1717 (2010/07/06)

A very efficient method for the direct α-methylenation of carbonyl compounds, with yields up to 99%, utilizing paraformaldehyde, diisopropylammonium trifluoroacetate, and catalytic acid or base, is presented.

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