2-(Methylamino)ethanol

Base Information

• Chemical Name: 2-(Methylamino)ethanol
• CAS No.: 109-83-1
• Deprecated CAS: 1428190-92-4
• Molecular Formula: C3H9NO
• Molecular Weight: 75.1106
• Hs Code.: 2922.19
• European Community (EC) Number: 203-710-0
• ICSC Number: 1336
• NSC Number: 62776
• UN Number: 3267,2735
• UNII: ZMQ4G4V497
• DSSTox Substance ID: DTXSID5025603
• Nikkaji Number: J1.187H
• Wikipedia: N-Methylethanolamine
• Wikidata: Q773274
• Metabolomics Workbench ID: 53858
• ChEMBL ID: CHEMBL104083
• Mol file: 109-83-1.mol

Synonyms:2-methylaminoethanol;N-methylaminoethanol;N-methylaminoethanol, conjugate monoacid;N-methylethanolamine;N-monomethylethanolamine

Chemical Property of 2-(Methylamino)ethanol

Chemical Property:

• Appearance/Colour: viscous colourless or light yellow liquid
• Vapor Pressure: 0.5 mm Hg ( 20 °C)
• Melting Point: -3 °C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 155.5 °C at 760 mmHg
• PKA: pK1:9.88(＋1) (25°C)
• Flash Point: 72.8 °C
• PSA: 32.26000
• Density: 0.89 g/cm³
• LogP: -0.41100
• Storage Temp.: Store below +30°C.
• Water Solubility.: miscible
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 75.068413911
• Heavy Atom Count: 5
• Complexity: 16.4
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

2-Methylaminoethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 21/22-34-48/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: CNCCO
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract.
• Uses: Textile chemicals, pharmaceuticals. 2-(Methylamino)ethanol is used as an intermediate in synthetic chemistry. It finds application in various fields such as textile lubricants, polishes, detergents and in personal care products. It is also involved in electrostatic automotive coatings and in acid gas scrubbing. Further, it serves as an intermediate in polymers and pharmaceuticals. In addition to this, it is used as a solvent in the natural gas-processing industry.

Technology Process of 2-(Methylamino)ethanol

There total 63 articles about 2-(Methylamino)ethanol 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%

→ (2-hydroxyethyl)(methyl)amine (109-83-1) + N-Methyldiethanolamine (105-59-9)

Guidance literature:

Reference yield: 63.5%

oxirane (75-21-8,99932-75-9) + methylamine (74-89-5) → (2-hydroxyethyl)(methyl)amine (109-83-1) + N-Methyldiethanolamine (105-59-9) + 2,2'-((1-hydroxypropan-2-yl)azanediyl)bis(ethan-1-ol) (68998-54-9,756796-52-8)

Guidance literature:

water; at 62.84 - 71.84 ℃; for 0.2h; under 7500.75 Torr; Heating / reflux;

Reference yield: 4.0%

ethylene glycol (107-21-1) + methylamine (74-89-5) → N,N'-dimethylpiperazine (106-58-1) + (2-hydroxyethyl)(methyl)amine (109-83-1) + N,N`-dimethylethylenediamine (110-70-3)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; tris(triphenylphosphine)ruthenium(II) chloride; at 130 ℃; Product distribution; Mechanism; other primary amines, other temperatures, other catalyst;

DOI:10.1016/0022-328X(91)83143-R

upstream raw materials:

4,5-epoxy-3-methoxy-17-methyl-morphin-6-en-8-one

acetic anhydride

(+-)-thebaine

sodium acetate

Downstream raw materials:

2-(methyl-thiazol-2-yl-amino)-ethanol

2-(N-methyl-N-(pyridin-2-yl)amino)ethanol

3-methyl-1,3-oxazolidine

2-(N-butylmethylamino)ethanol

Refernces

Structure-based design of novel Chk1 inhibitors: Insights into hydrogen bonding and protein-ligand affinity

10.1021/jm049022c

The research focuses on the discovery, synthesis, and characterization of novel furanopyrimidine and pyrrolopyrimidine inhibitors targeting the Chk1 kinase, a significant enzyme in cancer cell cycle regulation. The study combines computational modeling with experimental validation to optimize inhibitor design. Reactants used in the synthesis include commercially available starting compounds and aminofuran derivatives, which undergo a series of chemical transformations involving condensation, cyclization, chlorination, and displacement reactions to produce the desired inhibitors. 5,6-Diphenylfurano[2,3-d]pyrimidin-4-ylamine, ethanolamine, N-methylethanolamine, glycine, 2-phenylethanol, (2-aminoethyl)-carbamic acid tert-butyl ester and O-methylethanolamine were used as starting materials. The synthesized compounds are then crystallographically analyzed to determine their binding mode to the Chk1 kinase. Experiments include X-ray crystallography to resolve the protein-inhibitor complex structures, kinetic assays to measure inhibitor potency, and molecular modeling to predict binding modes and optimize compound affinity. The research also explores the impact of hydrogen bonding on protein-ligand interactions and binding affinity through structural and thermodynamic analysis.