N-methylphenylethanolamine

Base Information

• Chemical Name: N-methylphenylethanolamine
• CAS No.: 6589-55-5
• Deprecated CAS: 68579-60-2
• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.208
• Hs Code.: 29221985
• European Community (EC) Number: 229-525-5
• UNII: U7B63FX8CH
• DSSTox Substance ID: DTXSID90988242
• Nikkaji Number: J41.847A
• Wikidata: Q27102132
• Metabolomics Workbench ID: 37766
• ChEMBL ID: CHEMBL1241267
• Mol file: 6589-55-5.mol

Synonyms:MPEOA;N-methylphenylethanolamine;N-methylphenylethanolamine hydrochloride;N-methylphenylethanolamine hydrochloride, (+-)-isomer;N-methylphenylethanolamine, (+-)-isomer;N-methylphenylethanolamine, (R)-isomer

Chemical Property of N-methylphenylethanolamine

Chemical Property:

• Vapor Pressure: 0.0165mmHg at 25°C
• Melting Point: 74-76 °C(lit.)
• Boiling Point: 244.1°C at 760 mmHg
• PKA: 14.03±0.20(Predicted)
• Flash Point: 96.3°C
• PSA: 32.26000
• Density: 1.02 g/cm3(Temp: 0 °C)
• LogP: 1.33030
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

98%min ^*data from raw suppliers

2-(Methylamino)-1-phenylethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCC(C1=CC=CC=C1)O
• Uses: α-(Methylaminomethyl)benzyl alcohol was used in the synthesis of 1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines. It was also used as internal standard during determination of pseudoephedrine and phenylpropanolamine urine concentrations by HPLC.

Technology Process of N-methylphenylethanolamine

There total 88 articles about N-methylphenylethanolamine 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: 99.0%

2-(methylamino)-1-phenylethan-1-one (35534-19-1) → (-)-Halostachine (495-42-1,6589-55-5)

Guidance literature:

With C₃₀H₂₉N₂OP; iron(II) acetate; In tetrahydrofuran; at 25 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

Reference yield: 95.0%

(R)-2-[(tert-butoxycarbonyl)(methyl)amino]-1-phenylethanol (291533-26-1) → (-)-Halostachine (495-42-1,6589-55-5)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 25 ℃; for 22h;

DOI:10.1021/ja001098k

Reference yield: 95.0%

(R)-3-methyl-4-phenyl-1,3-oxazolidine-2-one (291533-24-9) → (-)-Halostachine (495-42-1,6589-55-5)

Guidance literature:

With potassium hydroxide; In water; at 50 ℃; for 3h;

DOI:10.1016/j.tetasy.2006.07.017

upstream raw materials:

styrene oxide

methylamine

formaldehyd

2-nitro-1-phenylethan-1-ol

Downstream raw materials:

2,2,3,3,9-pentamethyl-7-phenyl-1,4,6-trioxa-9-aza-5λ⁵-phospha-spiro[4.4]nonane

dimethyl-(3-methyl-5-phenyl-[1,3,2]oxazaphospholidin-2-yl)-amine

thiosulfuric acid S-(2-methylamino-1-phenyl-ethyl ester)

3-methyl-5-phenyloxazolidin-2-one

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