N-Methylphenethylamine

Base Information

• Chemical Name: N-Methylphenethylamine
• CAS No.: 589-08-2
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29214900
• European Community (EC) Number: 209-632-3
• NSC Number: 113957
• UNII: 02N4V81704
• DSSTox Substance ID: DTXSID10207629
• Nikkaji Number: J53.745D
• Wikipedia: N-Methylphenethylamine
• Wikidata: Q6951380
• Metabolomics Workbench ID: 121146
• ChEMBL ID: CHEMBL45763
• Mol file: 589-08-2.mol

Synonyms:N-methyl-2-phenylethanamine;N-methyl-beta-phenethylamine;N-methylphenethylamine;N-methylphenethylamine hydrochloride;N-methylphenethylamine sodium;N-methylphenethylamine, conjugate acid;N-methylphenylethylamine

Chemical Property of N-Methylphenethylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.303mmHg at 25°C
• Melting Point: 0.93oC
• Refractive Index: n20/D 1.516(lit.)
• Boiling Point: 201.739 °C at 760 mmHg
• PKA: pKa 10.31(H2O,t undefined,I undefined) (Uncertain)
• Flash Point: 73.889 °C
• PSA: 12.03000
• Density: 0.93 g/mL at 25 °C(lit.)
• LogP: 1.83940
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methyl-2-phenylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 34-42/43-52/53-41-22
• Safety Statements: 26-36/37/39-45-61-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCCC1=CC=CC=C1
• Uses: N-Methyl-phenethylamine can be used as a reactant: To synthesize N-methyl-phenethylamine based tertiary amines by reacting with different alkyl halides in the presence of triphenylphosphine (TPP) and diisopropylazocarboxylate (DIAD) via N-alkylation reaction. To fabricate photochemically stable, super-sensitive, and highly selective fluorescent film for the detection of N-methamphetamine (an illicit drug). To prepare biologically active squaric acid N-hydroxylamide amide derivatives.

Technology Process of N-Methylphenethylamine

There total 105 articles about N-Methylphenethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

N-butylamine (109-73-9,85404-21-3) + 3-methyl-2-(N-methylphenethylamino)benzothiazolium toluene-p-sulphonate → butyl-(3-methyl-3H-benzothiazol-2-ylidene)-amine (70038-63-0) + N-Methyl-N-phenethylamine (589-08-2)

Guidance literature:

In dichloromethane; at 25 ℃; for 3h;

Reference yield: 91.0%

N-methyl-N-(2-phenethyl)-4-methylbenzenesulfonamide (25566-59-0) → N-Methyl-N-phenethylamine (589-08-2)

Guidance literature:

With sodium tetrahydroborate; methoxybenzene; In ethanol; Irradiation; other reducing agent;

DOI:10.1021/ja00261a023

Reference yield: 90.0%

2-phenylethyl mesylate (20020-27-3) + methylamine (74-89-5) → N-Methyl-N-phenethylamine (589-08-2)

Guidance literature:

2-phenylethyl mesylate; methylamine; In methanol; water; at 140 ℃; for 0.166667h; under 15514.9 Torr; Flow reactor;

With potassium hydroxide; In water; Solvent;

DOI:10.1021/acs.oprd.0c00193

upstream raw materials:

N-methylphenylacetamide

N-(2-phenylethyl)formamide

piperonal-phenethylimine

methyl iodide

Downstream raw materials:

N-methyl-N-phenethyl-2-phenylethan-1-amine

N-(2-phenethyl)benzylmethylamine

(N-methylphenethylamino)acetic acid ethyl ester

1-(Methyl-phenethyl-amino)-3-(4-nitro-phenoxy)-propan-2-ol

Refernces

• 1、 Lebouc, Alain,Martigny, Patrick,Carlier, Roger,Simonet, Jaques. "LA DEPROTECTION ELECTROCHIMIQUE DES AMINES (II) - PROBLEMES POSES PAR LA COUPURE CATHODIQUE DES p.TOLUENE SULFONAMIDES.". . p. 1251 - 1258. Retrieved 1985.
• 2、 Biswas, Nandita,Srimani, Dipankar. "Ru-Catalyzed Selective Catalytic Methylation and Methylenation Reaction Employing Methanol as the C1 Source". . p. 10544 - 10554. Retrieved 2021/07/31.
• 3、 Lebel, Hélène,Mathieu, Gary,Patel, Heena. "Convenient Continuous Flow Synthesis of N-Methyl Secondary Amines from Alkyl Mesylates and Epoxides". . p. 2157 - 2168. Retrieved 2020/11/23.