N-Benzyl-N-methylethanolamine

Base Information

• Chemical Name: N-Benzyl-N-methylethanolamine
• CAS No.: 101-98-4
• Deprecated CAS: 53014-43-0
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2921.49
• European Community (EC) Number: 202-994-3
• UNII: 61LYX8089C
• DSSTox Substance ID: DTXSID5059242
• Nikkaji Number: J31.140E
• Wikidata: Q27263356
• Mol file: 101-98-4.mol

Synonyms:Ethanol,2-(benzylmethylamino)- (6CI,7CI,8CI);2-(Benzylmethylamino)ethanol;2-(N-Methylbenzylamino)ethanol;2-(N-benzyl-N-methylamino)ethanol;2-[Methyl(phenylmethyl)amino]ethanol;Benzyl(2-hydroxyethyl)methylamine;N-Benzyl-N-methyl(2-hydroxyethyl)amine;N-Benzyl-N-methyl-2-aminoethanol;N-Methyl-N-benzylethanolamine;b-(N-Benzyl-N-methylamino)ethanol;N-Benzyl-N-methylethanolamine;

Chemical Property of N-Benzyl-N-methylethanolamine

Chemical Property:

• Appearance/Colour: clear yellowish liquid
• Vapor Pressure: 0.00788mmHg at 25°C
• Refractive Index: NFPA RATINGS
• Boiling Point: 256.532 °C at 760 mmHg
• PKA: 14.75±0.10(Predicted)
• Flash Point: 87.299 °C
• PSA: 23.47000
• Density: 1.033 g/cm³
• LogP: 1.11070
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

2-[Methyl(phenylmethyl)amino]ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCO)CC1=CC=CC=C1
• Uses: 2-[Methyl(phenylmethyl)amino]ethanol is used in the preparation of dihydropyrimidinones as sodium iodide symporter inhibitors used to regulate the accumulation of iodide in the thyroid gland. Also used in the synthesis of new class of pseudopeptides as potential inhibitors of β-sheet aggregation.

Technology Process of N-Benzyl-N-methylethanolamine

There total 29 articles about N-Benzyl-N-methylethanolamine 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: 100.0%

benzyl-methyl-amine (103-67-3) + 2-chloro-ethanol (107-07-3) → 2-(N-benzyl-N-methyl)amino-1-ethanol (101-98-4)

Guidance literature:

In acetonitrile; Heating;

Reference yield: 98.0%

(2-hydroxyethyl)(methyl)amine (109-83-1) + benzoyl chloride (98-88-4) → 2-(N-benzyl-N-methyl)amino-1-ethanol (101-98-4)

Guidance literature:

(2-hydroxyethyl)(methyl)amine; benzoyl chloride; With sodium hydrogencarbonate; In tetrahydrofuran; at 0 - 20 ℃;

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Further stages.;

DOI:10.1016/j.tetlet.2007.04.078

Reference yield: 90.0%

(2-hydroxyethyl)(methyl)amine (109-83-1) + benzyl bromide (100-39-0) → 2-(N-benzyl-N-methyl)amino-1-ethanol (101-98-4)

Guidance literature:

With triethylamine; In acetonitrile; at 0 - 20 ℃; for 1.5h;

DOI:10.1002/chem.201304063

upstream raw materials:

oxirane

benzyl-methyl-amine

2-chloro-ethanol

formaldehyd

Downstream raw materials:

Ethyl 4-[2-(N-benzyl-N-methylamino)ethoxy]acetoacetate

2-(N-benzyl-N-methylamino)ethyl (E)-3-benzoylacrylate

2-[4-(4-Chloro-benzyl)-phenoxy]-propionic acid 2-(benzyl-methyl-amino)-ethyl ester

2-[4-(4-Chloro-benzyl)-phenoxy]-2-methyl-propionic acid 2-(benzyl-methyl-amino)-ethyl ester

Refernces

• 1、 Hofkens, Johan,Leen, Volker,Rohand, Taoufik,Vandereyken, Katy,Vanheusden, Marisa,Voet, Thierry,Wen, Gang. "A Universal Labeling Strategy for Nucleic Acids in Expansion Microscopy". supporting information. p. 13782 - 13789. Retrieved 2021/09/11.
• 2、 Xin, Zhuo,Jia, Le,Huang, Yuxing,Du, Chen-Xia,Li, Yuehui. "Ru-Catalyzed Switchable N-Hydroxyethylation and N-Acetonylation with Crude Glycerol". . p. 2007 - 2011. Retrieved 2020/03/19.